# systems

unique_id: 1f940474387c8e45b4173e0ac2db89eb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qivJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WOJxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2JtYPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pwSUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yOpuP+tuzr5IbWo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJgZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "6HlPPxyBhL3hGpO+W6qLvr8jhb/3HFa/toHGvVHfjz8G1DG/tEalv7O0DT7Bp2O/fmuNP4J3SL5Kgps/xK0CQI0UIr1UE36//9Tqv2/tfj4rMeq/CqK5vQxju7zt5QNADPjAP3Gpmb9hbrI/xKzzP5Q9BD8Jxro/SBkQwOoBDT6cawk+zYwfQNJIYb8BD1q/o2otvpqJcD+juxdAoQuDvsF19j/fdQE9PW0RvwXW8L/1bVC+Ti8gPC3ns79F1um/lkXhv4nMdbxqOXY/HWPTvDzOFr/ffzlABlCDPtBIxz9HAdG/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1c52d7bf12e68798036b3da98b27eb36
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fJq2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9iVbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "csGZPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WAOUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KSKDPcsQZ74aaSG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "a9erPzxORz/I65u+CB8ZPkfNP76T3Ju+kdeKvySYJD/5LlU995JCPcbCq794VKO/FPaYPnkIzL8TDEM+sKmmPxQj9L9KJPc+gRwuP2shCkAKLR++EGU6vzDjBsBqUn0/KHZaP3rgwL9w/P2/AU3/P2U0FD9pIA0/alhiv2RmQcBORzs/KZpxvzsZy794xdK/XZMAv1667D9rSSY/ygnePvgPJED4tpO/KNTev8nLAj4T1kE/aeaUv3KBJ0A2ry0/zy3Vv33LWj+DL12/9zv5P16DND/JLJu/XMqoP5TROEBXuLM+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 28514cf7f2211ec4bc2d45c1726f1e98
username: gastegger
key_value_pairs: {}
data:
  {"energy": "L5gAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "atx7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VyJQPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gPKXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CrqBv0hQfLty3Om+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "hFDkPra/BT0Hbfa90opwvxVL9b5dvfE+2XGtvni5Oj8OVpy/TBxIP3jOqb95FwC/4oPKP73mMz8zeRo/K+yrP26j4D88HUc/Rc/PvhVz779QLQA+4CDdPxfJXz4BYMo/E2/Rv6hDbz7Uxi2/DPafv2po1D9tZQK/5RIjwBt6Ob0t1pi/nEp/vxjWHsAlhxC/FyVGvRFYYz/LFRDASCa0v4IRp74xG+I/+XTVv0JDGT97l+4/W2sjvt8gHcCBWII/TfIwQJijKT+Mrzi+jKrfv0UiDUCa95q/4Vc6QPQKh74MetC+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 927db4d1a52fb0fab9ebac5d54e5afc0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2Cjmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cTxvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "s3zdvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "24xTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PPfuvr6kOb8U0CS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "+1MyP8l8dL2QeT49SaI3v7MNHb/5tL2+is2zvwF7+j4KtQE/sN0vvZiVlz+jpBo/iJuTP2kEVL+4Q5Q/CM3ev9KNAz582b0/stSqPt3fEEBpEnc/WTANwEiShz8qogA99SziP0oICT4inYC/skSvPxbZJT9brfC/ArnuPzYSq752d8o/5DFfv+/wqb49k+C/Rb7jvzGECb9EPwDAuJKDvwEkBMDf/Ve91uhVv0h3EsC1Qn8/gukKQGuGVb9ZS6i/RuzTvhSDLsAwOSu/3zklQJqsPD/p9xa/Y0AFwAfaEcA/voe+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 15b8248a028147c9050621de48b39ba7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JZkAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bohxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rK1YvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "A107vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4X/LPihJN76/fRW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "/II5P2unUr02/r69LHQGv+Lqaz/uMJi+tUaFvl+6k7+tP8c+QWu2v2keS77mF4s+vwjOP28duj633Yc/msvBPwBi3L4nuJm/BfX1Py4vtz4rDsq/u/Stv7mytL83ZP6+y2GdP3ofaj+IkwRATGwrQE0txT2HQ2k/bqGQvM6U8L+GQZQ/tCelv7Zsvb8m+Pm/mggQwI/wzry6W3Q/iOIyv29Zkz+ECK2/u/4Fv2CsCECS9sQ+oo9bvkTX+z+P7aQ/u6gmvwkTO7+XeRvAdq0TwCrqsL8G4hXAG5Bpv8rjHcClqw7A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f3a7a7779015fda46320104bd57d72da
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2pPTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "sI9+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GM6VPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Xrukvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jBX1PiTRy74kuby9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "k6PnPhnuCr5xUTM8abdmvxWz1b4MySw/mbFGPqM5VD59E7u/7kifv6DsLj9Nl7y/5Pzxv1cfoD6boVW+aLTDvzF+1j949fS+iUM9wFS89T04BgG+xr7WP/2VYb9Ppt8+herEPwwRFD/4pUk/9ObkvxRnST+JLRrA9ZmpP/JqUT/7guk/X18KQNtupj9njoo+x0TAPw7z7b/eRrY/kJuQPvIXLr9BiAbAnIqQv9y3vr+Zfys/UBgQQIWu6L/wuwFAA2xjP5gGdj9ULey/tdNvv1JtrL0pgts/7GkZQKqUkr+65a2+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 427a906d68a922246ceee47602ae90bb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uBK/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tB0jvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LGHtvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jnEFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NICXv+j2jj/KVMG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "lIWXPzgc/72O5Jm90XlGvRDqhb9MBJI+chWtvz1p5b4ok5K+RQbpPqwtHb6DM6Y/I/tsv9wPhT9xUdS9jCXcPmQ7XT9InUS/DkIAPnfPIcC9kdk+rMr2vld0gD9bYK0/MLimv6PJTz/TaQNA5EZFP/igsj+Xw/a/mbIDPlHsQMDYQA6/1dCIP3jFL8Cp5Gw/hjrCv7x4Nb/2BKu/oGp7PTPb8j9fYtY/xOcuPsF9AUCOAhzAz/kPwCAOOL87lJE+Qx0yv95OPcBdyIE/Bd/SP7GFjT931BXAngfNv3RZ6T+zAuO+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4cb98eeadea54df684dd259f6a43195a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+CjJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZRpdvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AB98PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EhGOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yLXRPsJRUr5oy9k+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALgZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "FgooP+roBb3yvue+BBTzvvS+uL7jmA4/t4OBv0YRiD9DEYU+9jQZvuWljT+YRnK/G1Oyvzh5vb8CYuU9bJvcv517pb9+oGu/4WAFwLpXkj8seWI92wRYvyrhG8AEOPA9YlTBPlix+j9ttI2/FDpbPzkzSb/A95y/IxpBv/e55D9FkoU/LMAfwMpHwr8bIIE/qGz8P9SHrz7eD1U+Xw1JwElkCcAqZCw/IMfkP5HdhT+3kIQ/DTIcQEoWD7+UWSI/GWIevgU+Cr9mJMs/k8IyQD+dbz8GIkq/AFRmQEYSoT+QWMC+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b82d1449c0031fabc0af7acc0101ba30
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Gxi/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Zys/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8PwiOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "W7dBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gGUNvxUAG7/MQLU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "R340P0Dx4rzMroM+fisiv//B5759Kre+sF7Nv2pYID/4kgq/633cvu3Jd79qb6i/bUO1vwmOsz/nyeG/lwyUv+87vL98QDA/wWDfPGfP679Hkb0/t4V6P289Wr/OFaU/bp3HP/0AeD8ibXy+rUX1vh7C+j+FRtq/GX2xv+fNST/NmSvATA8TQFqf6D8D0S+/Lz0iwGuCYT7ARw2/8NPuPzYyV7+9b/Q/OAH0v3n7d78Ecag/CfM8QFMJJEBXfYi/2nrOv4x+FsBdbWw+ptsOwM3sB0C1Gu6/+SgOvs7aCMDpsRtA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 61188e83c37468a1d568b036e087d295
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nwbBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FAdwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7xxKvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RWVjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sVBzvz4/jD1jlyg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "qEdyP34BB75kqgO/+EmOvlZPPz8IN1y/IKCpvzz1iz5Htws+Q+QcPD6r5T9sUzO/Ak5nv/Uygb/ZEVA/4aUwv5U3ET8dwhTAMnqEv86Ghz5UZ9A/sbDvPmGojj42+/I/N70jP3iQVb85+Es/9Bznv3m9CT/duxVAwt0XwBK8xD6wsfi9xK+CPxSMmz+rMuI/NqIzP3sUCL53cDhAVD+7v52h978KHFY/K2f5P74yab7oy5a/rFuFvzuq575doCDA/lMoPjwCQT89rD7AiZCmP1Ag1b9er4M//ki/v5TzoD+i/yXA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7d32c170a97279790d817a66ad95d307
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xKvRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4jpGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7pQOPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HuBpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CcQLvrxXLb/JsNq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ARf7PoKUF75HdSw+wlsYv6XCVj+fACi+Q6ICvjAQj7/CrI4/TLdYPysC+r1nic4/BKXIP8We8b61f1W/es7cv4f9CD8Xgv0+NkPKv2GjNr/Ua6s/59iHPxFQJ7+BsAnAzKzfPw6AFr8It90/cVOcvjZd9j8+jHy/ZlB7Pg3/1D+m5eW/cgGvPhN/pb+E0QbAHPAQwN6Qwb8G4YI/ExLjv7FkCL9j2BlAG9QIQNbDrL/Du/u+H94hPqSTCsAytY8/cXYRQF0Euj7dyGi/kIQowFQ7kD+tTfQ+p9aPvxxwHECjMqO/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5358e2c47b5c8c818343b431f6d66241
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0pvuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Y0Ryvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "175APQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DDqRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YY4GP5+THj5oBSY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "t5EZPm74qbxcnaY9V16SvxSdDr+6Jim/H0z2v7Xtcb681iE/a4owvwf2Yj5r66k/wC8Kv9QEfD/8MwVATVCRv4n+z78Zo2a//hKlv1Z4jL8r19M/T5M8wKKa3z3O5zc/ilEjP/VWmD+92xG/7LjzP9/YCj94yk+/g/bAPxlGL7+0+Ae9uFu8v15ZPD7e0eW/cltjv2J+dT+4C+W/8Bvnv+G+e7/QsiFAijclQKAJgj48Yfg+q5LWP8zh3b9cv2u+ETQZQB3AZT+zdqs/OPdlQDqEB75zPtM+JQEYQGxVMT+BK+O/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ad17798eac8a495332199c8306bca8cf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DdsExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/KsHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UyKJvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pTWGvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "rp6Tvg0akj9EwK0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "tGlrP8D/Qz7twsm+WltuvhDauL5ZnJ6/K3GSPlMIXT+tLk4/56C6v2zVzz2yUSu/cN8HQB81a73hDTK/2ktNQAf8pD5Mdzo+uyAYvmRKkb8TugnAnNWVvwzZjT8pwsM+96cqvvhG071pDug/1UtaP5NK1z/3LaA/wirHv8lcB0BGhW0+iVE7QM/dbz+3+IU/NYlrQCOhGL+yQgw/lDsDwKOQV7/6c7c+6cl9QGwlWT+TJtC+YdPHv8as2D1+67w/nAcNwCGAjj5pwhVAo6bMv6Eh678Sebg+Z6VIwJelbL+3A4M+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 98973e31faa7691b8c3dac20de57ad88
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9rf4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ObSAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ks5APQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "C86Yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yy29PgqFIL9Hcrk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "MNkNP4s7+T2dUZe9v2Ikv+hbTL8CgJo+9tKzvU4NkT/xxoS/txuhP+agQj9DpJA/P3u3v3yLNT+oJaS/t/nEv8EPKL+vwm6/P2IHvkm0CEA7fxu/6mzTP/l+NL007eI/UsolwA2bYr9akz+/Ao2Vv5g0yb6aAZY/r2L7Pr40lD/0Bvy/crOVv13AqL+UPd6/TmjkPoo81D/eM+4/2rcWvvbxkz+GUxtAOJXBP1GZJL+qBU+/9H/9P7JEmr850za+nU8HQEEQqz9Qs0M/8c+CvocCB8AxhyQ/vIIBPs85IMC+FRu+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 268f9bc5566ca20af577e40ede09c662
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+5wAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MZqFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AqCKvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YuB5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "d/jLvkht4j7TMNy+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "gTH4PsdKpL4U37g9bqgdv5ENbL9nmDc/op5BPuSbaT8EQQO/1fbJvypyyL9Og16+1sYJv2RUUT9rqqq/f5OMv7Ndub7mSgJAyD51vnWV0D9G5E8+jr2Vv32Q2796DZ2/NB6XvgbV0L9SwQBAZ7M9P6qYyr+dxxRAuCkvwM2q978Mhxk+oES7PzZAwT8TAYq/6KIav3nnCD8JCBlAUV8kQFtdhj+Cm4C//G9OvwVqJMC0ZAxARmsKwHDq2751ZA5Axj6WPzOKK0BQLNm/9NIAQG+6QUAIMgLAZPFOwMlwGcAguRy/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9a4568578edc27a8bc178eea08476688
username: gastegger
key_value_pairs: {}
data:
  {"energy": "u4/Tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IEKEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mYOAPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BmOkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kbjHPCgPc7/so4M+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "8X0oP9EVS76wZtQ9kfMvvwJz8T4lIY0+WAl5PrPlm78YYJg/MwqOv3ZDBL+5xrA/KcLCvyzDjT8y6jy/SZD8vzedj7+eR4w/MVStPyxber54gLg/laqcP9cCET/tywlAuQJjv5Ml8D9FmZk+VJ2kv6DjqL0QpRdAIIixP+2mx754sJi/9bkRP8tcar9qzw7AVOgvPhJ73b+x9fO/RLKQv818oD/f996/iMgmwNYlhD+DGCq/Z4/NPlOGEsBFFZk/e17fP7lcEz8mjci/DpoRQKF6gr98XYO/c+wWQF8aKL+9VrU/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9f9035f9752941d9e9ea33010a1a41d7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AAakww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QkNfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qwmiPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DCSYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EjGFPpBm3L6pwTS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "HAGHPxxwoj4G80o+aijCvUuZbj8/WiG/p6u+PjCjKT5zxcQ/Rr1VPzO+nL/vAQe+fA2uvlwzb7/P8FU/d0R8v/JOqb62rvu+n7IkvqqYr785jaW/xiECQFsvTD+4dTo+fFhVPkFKhz8Ffda/ZyMqv0DTD0A1G+W9YWJ2v3hVCkBsAm8/K0aEP2ANi75chgtAycDSP3a/9b/2a7E9Z02fPbUpQ0DJxkC+AbkKPvwxjr9KEhTAgYLEv1oBI0B3TjS/l/QDwK32X75nTB6/zkscv92gF8Bfw6S/MeZlv7mI1r+8DrQ/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 728e7056f42fa79b19f06f63a64161dc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XAakww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fsNkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qfeUPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qZ+Xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VaSyvqg65D6Ium++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "wQFNP0W1FT452be9Sbbqvu7zYT9W6fg+4Rw1vgrjiL/7OkW+spqWvnK38b5YLJ4/Yt2aP7hpsb7oWqQ/RgvmP4nYIT8rI42/96+6P5iW6z6O9O4/QiHOv2VdST8VeAK/ZK6yv05ZLL/xOIK/IZKZv04fOL/K8QXAW8ibvkyc5z/Yx4U/cM9fv8HXWr/t+QRAUBmnP4s9XT9VYAPAABnEvz+Ewz+T1Ke/JV2DPlMXBMDL5pi+EFwTQJYZxT9UlUG/orkjQLu6Br7QxaS/1XglwMUkbT8l4gi9lnsQwCShqL/3llG/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9194815998f16165125bd3be5f820d17
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LpDTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ptB5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pkU9PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CJGUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eV3/vTp6/L1bQp4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DzgBP6uTOb34jRU+4HAcv2/hZL/Kdgy/xrnWv1A4uD36oPy7NTAvv0Dt7b8ic/y8YfTnvlsZiL+1WPe/mi8ov/ZuED8G0YU/idiFPwuKez+ckzm/hFmPvxVm17//qQ/A+lnxvzb1Xj+J3T2/D+DAP1x+7j8Wc7O/U57OP8uvUr+Cn1o/gImXP8a4wr9Pwsk/zbb0P0w5KECXLQHA7oQUv/lU0j9cT5s/IP0SQPa+Fr65Z7A/X9xfvzMnDb4nGxBAkM0MQLS9sb+6M/895N9UvnX0Cj7t+zhAOAAnwOjRo76fG8U+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a8aa9612630b22b1837999b9dceef4ac
username: gastegger
key_value_pairs: {}
data:
  {"energy": "E7X4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kUV6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8pRVPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Z9WXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IJhjvu3Y2L5QU5s/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APwZRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ozd3PxFovL13vgo++T/avoJ82TzGt1Q/9xqLv084h70bixW/bsgsv60iUb/JL74/sv+HPohE3j4t3ZS/g43iP2PBAz/sDQ8/KL0ovxe+qz+pWMk/8LCmPoP/wj+IIpq/zVYpP2FLZ72eBRvAeTHvvja9DEAzoWo/v14EPq44Wr+PGCTASZtNPr3Jwj+CsCtAIcayv9JPr79Rin2/XqgCOzDhXj/dCVdArBXcv8satD/qhO4/uHD7vyUxDz+5IEK/KpAyv1Bs/L/d2Ta/ShOsP8ost7+aPsW90nrTP/Z26r+A7Do/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ef52cb007bfa7fbab7dc8b000baa638e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eJcAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vJV1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kpNJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UP2Tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Jh4wv45AjL4Yzwg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "nzOePg7albyLKqg9sH3MvjKRgb+5J0K/SUKvPg8ClD2mLqy/+KHhv51d8r7vG6y+7DCDv5oOJz9MGfs+WVoOwKGilb/issU+bv7KP4OTi73kXFQ/JciRv+8b1D81A6E9ZYupv+dzOD++Re4/JR+mv8vBK75VBg9AbYEDvrsXAcCr1Ie/5BwowLrCGr6PkbG/gfdbwNPVXj5snIK/y8C8PxaWm769UPE/MHktQO/PTz8K3NU+QuMxQKi/JL92lEk+jR0kQM39U79KM0i/gmYjQMdHuj/tmeK+8CtZQAVOmT/xfpU/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fc57156b65e7b26aba63886c1a638a26
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/5e2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2Sdgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hX17PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nYOPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OKEwvhSWOL7gvg4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "9yJxP8hYhT4LJiy9tN6+vdoerT/WeaA+Fn5OvUMFS78o1wY/xt5KP/JjhL7MX7C/VnX+PxWnyj4+GHk+Dka7veUJqL/dBG2/Xv+Iv23gpL/o9LW/uGmCv5Vflj6dE1U/jKvyv51HZT7Uo6U+/cW6PtQrE8CnIIq/dSiBPme5/D+zKpM/GdtAPpzZ4r8YJdM/aNjGPsYTn78lZCVApQaEP0zJG8Be9LY/d4Ebv/ZBD0B3RU6/qwUzv7BWGcAEOec/ZOhVv/UW0z8gRNm/gyYOPiZxP0BTBYq/1YTBv/IkMUChB/q+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 10c1f58ce86c4c57cf643fbb66e26f21
username: gastegger
key_value_pairs: {}
data:
  {"energy": "i63Rww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pyFqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/vHevA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Z0NOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Xdz2vi14gb4niMq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAgaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "22RIP698RL5zK4G9XmGTvR0FhD8lwGu+suwivvqYs7/OJCy+toenv5e1WL81g4a/aYiWP07SpT7gDKo/lFO5v6OgGD/+VQi/ecoOwAWhtL+nwWG/9ggFwIdgHT8crrw+ng5bPpg1wT/cDJM/+BPPP+FLf772O0W/DAiHvyMgVr/Mfx/AOoaAvrnigb4DXS3APUr1v4xpnj+DVKS/0GlWv4i54r/2uTTA1Tr1PwM0Qr2WPwxA9Molv/Vuvj8hbuo/jP8Lv6Cl179rN1E/nTmjPiAoEsBDMRq//1ctP5D8H0BQSpo/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 389cfe9ef955ff9e1f77ef05de0e4fe8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DCfBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "N8R4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6WSJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Vruevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4SgZPllM/D4PYue9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABAaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "c99zP9hYljs5/mM+bTR8vuYYJrzlnUW/Vu8+vNJvKD/t0qE/zx6bv9nnFT4Xztk+Y5V+vvBsbD+eKK6/8QCxP+v2s79WfyI/TM/Fv31cVr/n+0M/h3dJPcM24D+XOp8/QKCpvnPOkb+Mn82/dBOUv+Dpi79QZAbATqAJP0QQAcCfIXY/tioYwBdFbD8w7JQ+At99PTBhpj5DShNAx5PtP46J9r8aIk++MSoKQHlzVT9fUVK+BG4HwGTy6D99tGY9X43uP29T7D9HgP++l7AqQCzPvT6cb4e/u4EGQEhHrb/vxbo/+cM4QA+0az8Kvhs/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 62213b81485eb76ece78b82fd1d9bdd7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wL3Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Z/Movg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "F34wPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7RJVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5KBEv7zLxb5xVdm9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "hhhfP/0fTTtxN2Q9yy1mvvlRcb+fEOE+yDTqPk7qkz/hh0u/rx1QP5NOsj8MUxs/uXZ6v44fnD99XaK/zbDvv8wfLz+EoXe+09iWP2xYxT/52MG/kwDBv74bE788epM+8X0RQDCHDb93uoW9mPsrPpmcDsAl4GM/oYc+vaxsvz+Ph5I/X3oTQKuzsr87l0K/A3FWPwwEDMBBYNM/bNM1wE7PNz9TnQa/PN6Ev6bsKD+MFA7Awjggvyb9McDYfJg/HcopQJ8jZr8/22Y/Rs08QDbSaT7g5tW+1uQUwJxQmr/AUR4/eSOjv6c8EEAOE72/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9ff0362f5575ad33abdfa4c5bc893ecc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Cjf5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iiCGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KESgvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AB88vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iGg0v530Pr1vDYw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "MYBQP75VhL5Cmgm8jmm1vllcOT+RloW9QuNSPsLlwr9GgCm/v7Cqv852rL+AUSS/oYkQP3fFx7/Ntti/Knz+PkfaHMBL9im+E5rAvxKTDT7CDti+eZs+vmrNCUC0Sk8+06ikPwkG/b6hlrc/c/Lkv1uc1r+cPMq/YOIdwNM/Ij+9XQG/rHjzPz3HPT4Efk+/Vw0KQAgVhz8UV/K+spD5PgDWab/hiQNAx75kPxbnKkBxDto+JzbPP5v84T7lI/I/vWmOv7LlMECUOzI+e/cHQDUTmb+VzLY/zeUAwJ+gBsCTlLc+S4rbv1Ni5r+Fjpw/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d60c81ce993ff4a2d908486678da18a8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LdkAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ksuHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "O4ozvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lbRivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "b57qP2mM9j5VTbA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACAaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "HDd1P59zwz02VK8+etyuvm25Fb9mkkY/pOpev9479j2Kw7Y/gq3VvfiSvb8RGK4/b86av2dZbr9sKsi+cFMsPzKrpj8swNS+jirJP53KFL/mRoa+QcDgP9xUQj9WRL4/BhelP1HhEUDBNNc+Eby7v1mn3r2auIa/cP1kP5wS9T90W+E/OQHVv4JPCsA0sCi/8kAsQKyK2z/WJDU/dqkCQOYEMz6r+RZAwMK1vzEfQMAUPIC8I9xRQJD0qj8ZZAW+l3EfwFBLHcDJsOO/pp+EPzphUkCbPs49dJhRQIUSFkAYO7A/P6pKwKM3LsB2tSvA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 44ec4f8b2ccdd5aab0faa4f2ad98e707
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cLXkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZhRLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "egCLPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dXRcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8u+zvdPBYr9bX9S+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "I40pP3A0dD4viIg+ykkpvwwIaj8kXBw/0bRpPkvgeb+yUAO/LaTDP09JXjzdYbs/7ePIPy3pc78psuI/cGyOvx2Di79LzRK/Ua/gv29noD1Nrd49CQjnP+GojT+iKLC+V8HyvyNiBsCNlo2/HoYuQPsiAj9aJz4/VE05v1IEwz9OCsE/tnjQPxBgC0DoWG6+rOEDQLnlZD8z3rC/KBe3v52wqz9bSAS/K6xvP+7d0L8tJYG/qZ1VQGxvmj+Pc6k/F4IvwAwqMjz9uw4/0ZBYQGLQj76NlLU+65MxwI705b9MbMC//Ca1vya+L8Btjtu/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4a89f25ba41c6c8122c549dce27ddb19
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nKbJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "k+R5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kNyavA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AYlmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "j3AyP//sh73wbbo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "OztgP0ubGT2t0Y49kouDvts77r6ej4A/qN3ZPSY/sT9aMYC9Tz11Pyq6R78a4pq/iGZ/v+NgVT82h1s/ZEVovqoUxD9Rqou/DwDuP51ThD2+yg0/S+ccv61mvr9oVoo/NAGdPkUhA7/LiQzAJJsePyAcEkC/Cpc++4rfvtRj2D4kQAlAM1odwIOokj8sHkI/vZ3TPgqPbD9hahlAw1E0wF76gD9PKYi+sMHwP73C/b9pypS/mVnZP8UMJcDta4a+ix5CwPhj/z7SZrY/a9spwDPVC0Ck84U/vfc6QLs+0r+QAI6/EYbfP+IrJsAUYwPA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b12d863a03618025b9afc398d15d3a7c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Skz3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6GiNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1bK1Ow==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sz+Qvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ptB5Pr0Aezxn1Wc8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "reYdPx8cOT0OS1U+kOgpv+EfR7/fQ1g9iK/Gvz9MDb7LRQs9vxcnP/IuSj9fxBq//bAuP1aMSj9EOcc/pLZAv4PMvr9Ar2A/1Lj+vtx30j8ZQNw/PtsnPxJVBT3HThZAanLfP0vfTL8eoSg+hcIPvyLTxr9bH5K/FSf9P8ROzj/gNNk/dXkBQFQyGUBKTW8/GgfRP7Twsb9GcBe/EBabv0LBjb9vmQ/A4vu2v/59FEDX/+k/ihP1v2nslL7SNQLABQV9v3H10r8MBFfAfH81QJBycz8Ph8k/PboBQDOHBUC9cCtAFMPJv6f2nL+daYLA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5d452a0b2e8249bf60eca7d0f008d027
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RajJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kNhevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WyMCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uU8+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UMejPpyKxD5zEc8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEwaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "4tSoPwgp5b4JCji9fWSAPizCvL9eyL8+UV6WvoiYCb9lr7I/DwIRP4uQEz++FWM/aXy0P/dhir1lML+/vb0UQC6EJ7+FUKo+ONTYvzcUEb7ar5o/LkofP6NGzr6yNRbAzfzZv9+TYD9P2Ek9QH2+vh4w0D9xZoA+XAybPy7Dgj8jGdM/fhARQMi/GD+JyN+/fp7hvvCu2r/px+K+Lu0TwFoWg7/zmII/tiIgP3IsGsA7OU0/OzHavwj4uD4BTWq/ytADwDd/pj5HZQhATXUkwKtxxT9fHpQ9SmyrPBFdA0A49Cy/7KsAvwwqHUBWFXQ/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5b2d92248c9e40b1fd1f32fd5de74dbf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "16XJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MEZkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WwldPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xhZyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oWdTPt4COT/cuus+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "1HESP/EohzwOXyg9kFkwv6n5+r6+8Ti/f366O4lHwj4r6LI/y124P76JeT/9Kx6/IC+pv6SOhj6GYrk/ddcVQHkjfz/+chm+eIpmP5rrFEAs0zq/IWMjPz6cMD8CUw5A1g1lPKneE0Drn6+/VV6FP7jGub8cupi9h5kbPxxgMkB8Fmg+7odyvv8e7r+U8hm/3B6lP+aQ/L/kMls/ygf2v09xTL7aCg4+cvBHv2N6Qr62sOK/9/L2v44I7j4tvxRA0kjSP0j+PUDd+pq/Mp/sPyuiyr+Ojk6/HRElwD2dDz+V6Jq+lyohwHdijr+kPYA+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 517ca0e26c548a52fd9347c4706ad77f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xL/Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Pbdgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hZUKPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "T66Bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LexBv5lkpL1AE0m/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "YVq8PoU0bD3RsAi9cjKDvzynLT6tiQ4/pJZGPv/pBz960r2/wk7zv5pisD6Okv2+kpqIP2G3qb/C2xc+UpkeP1Pd8b/OqXk/xtuiv+g2RT6xs+a/pMM4wJAxOz7K/7q+uhPIP1w9ID+KdUM/giSsPurCzj9RXcS/LLoUQDDSHr8xlvs+Z9aQP13q+7+x/Dy/sAA0QIMIgL+4vaU/u5Sgvyoqwz1yz+c/oimlP/M6Rz/MMug/2c8BQMiIxD9u2bs+XycQwLv0Iz4LSwFAL6Kvv57SVL97QgzAPnbbvweAXz/0RyLA2ldmP+ZNhj1hDwvA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7b5c28c9db7bba911322c2a94eaa9efe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8TT5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "G2SCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7zlwvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "urlIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "l62lvrnCtz9hwzs/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFgaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "zliQPvadjD2AQEe+wAZSv4ETY7/1+JU+hn51voFVcD/Y2Ku/PGjhv+V1r75Lleg+lUMJv4V0q7+Map8/B5qSv4qyxD89KY+/IcuLv8yy/r8CRza/euuoPoc5gD8T8RnATyCFv6J317+S6OO/dPCvv3eRR8DGFc++qcGvP7/AMb+kVCq/H9vHP8q4vL4q48e/1BA/P9bPhj86dlw//OHcP5SovD+N0CM/rs2vPe93tz/EJvo/6pZjv3QugD+++gpAxTkYP6NRG0B0Cj1A/WfKP+uiM0CCdStAaOgpP1o1/T8A4nxAdbO2veLcUUAxtUJA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 589c1caaea01e5608ea38e4d8333ee2f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xKXJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "V5N3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tDiDPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2Jecvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AJEePhNmqj6Vgg4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFwaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "K/VdP4Iwjj01gDw+/RXjvS5ymj/rcuC95cLFvDD2l7/5vl0+agThP2kKUj1Fe3G/0zcXQHYYMb///lW/CX6/v2a5Jj80Bby+XlWdv448vT9fD10/iFa2v6wfVb9r0CK+GRLWP0eydj5LT7w/VNeCP9YSjj5sWRZAHB2RPmD1AUBFXDG/tRkWv1KCz78go4i/jh0SwHzwrb+x/38+qDBLvkFJhL+xA+e/ziadv7pJej/Zxuk/0gZbPo52/b/yvGs/K3MQQAzmlD/FLrc/norPvxVIH0Cb62M/NXQIwPKzhj+CK5O/l10XQOscGb/eS80/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b6af658df463179c3ca1f20026211643
username: gastegger
key_value_pairs: {}
data:
  {"energy": "aTL5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8DSBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JO0GvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "l65gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Nh9fv+Xyu7/04O6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "qrMCP05VSb2VUBA8lbsvv1zjuL7PDx6/WgzWPooSYj9rrIk/Ct2VvjU2DT8vQew/RaHFPeIX7z842jY/F/flP7rQgT8nd9g/IF8mQDMLAj/oQY4/5rDPv1qnr78jJFQ9F9UAQCcMzz+OZS1AQFFRv++25L+hyZG/kA6pv/z1ND+6Bre/32xnv3vx6j9qI8S/bK6yPr9SL8C6A4K/8IZoP2bOI8DaesW9duSEP6vcJ8D2pu2/wwylv6Gm27+fLoM/fGYswK76nb9oDDG9LxnHuz2NccDaRoG/R6ivvwQH779LhATAzNIPwPlnwT5SOPq/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 33878a507d9f7f1231714a30b2407b9e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nTLcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vYtXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YHZPPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qrSFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "toTcPqeRFj4Yz7A+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGgaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "QdoJP69BUz4NcQA/yAFVvwGFEz/kuhm+6zmcPxLLhj9XmyM/KaXbvgGktL5BEKi/KdhlPysvML/ABiS/kbnPP0O5jTx+kt+/ZCT+vxLYED67gAc/Nm9qvzE20T9scuC+c0eQv0PXlb/HvsC/mFyZPndmlD5triDAJaHZPv66Er8LKOY/9gBhPR5Eqz/Q7izAfkxMPuKvh74gfFzAET4zvsXTvL9iZ9A/OykLQCuiZz9ibLW/IacUQJKtJb+GrRDA3xe2Py6OYb+F0QhA9DTvvzl6xj45l7o/LfNVvl2olj5gxi9A4JChvjgvOr7Q0mRA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e3325999b4d202b379ad6731a6fb67fd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sUr3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NdB8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3PKxvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "x9Yjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aD8Cv93qOb0R5AC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGwaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "wz6UPzObLr4YqE88LWwDPuoPNj7EnVg/FUR+PxaS274mAZu/YEcbQG62ML75x1Q/cxcGQHUXTL8dZgXArF4RQPTyxj3bgPI/yLqTvxOxgT7bD7M+oHcmQG5o2r8TMN+/KKJgQKY04r4J1cA+Yck2QJxUQLzprQjArR+cv0YiKDznTDW/bfwDwPvwFD8bJpM/kCrZP7H2d7+fhEXAXyBcwDn1LT9kKzE/BBRwwOZOwT5sb0a/KXNOwLFzhz+/3bm/eOlewPvjJb+g/4W/xlqawJlX/j6Y73O/8LtxwO672D9P03A/xOiAwC1ckDzGZas/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3819d355f960e17816625498d4ca8edd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "bcjuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "W+uDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9nr3vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "V+dovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8WPMvtGWIz81Y9G7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHAaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "Qq+zPdB1fb5IvkC+FYeWv9U/FT+oxZ++1SOIvl4Y4L85CJa9nCBTv6rtAsDh2Xm/IkZ2PwAj5Lx0xbi/Mr1fP0TNJD5qO4o/RVJ4v1gVBcB2BY0/PDHoPnCS3L7p6xTAvyPfv2S7vr9qyo4/8dzyP/fkGL82T6m/JF2Ovwj3tz/e0X6/YOWNPuC8dr18/fs/blOnP2Ruwz/pUYk/wz0pP2KBFcChKoK92D0UPwYzBUAKb68/eNnkPyzv4L7EvZA/thecP3Lxqj9g+9u/AHrFP3Hc3D9soGS/nacOwGkHlj7yQbA+pqQ/wEuTbz9CmA0+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 131396617bd17fc06764ca85f29291b7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pJSuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "C5d1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RPqNPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Fkqevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bw0MPiVYXL7zce0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "fG1/PzbSlj7cpX4+nzT6vYLhyL4U5w6/o2IQPakbCj8pYbU/LtOKv1VbSb5lIhs/ltjXPsRlcz8wznm/ZZUcQLvykL0Q+8k+u4Sqv+9ulL+WfIk/KoTbvbzmzL+QoLm/IvYsvhtLyz96PNQ/1MSdPpXXEjwHUxVAwRoavtnaIcDXm16/xKwQwN25Aj8NEoc+Wa5MPyHh0L8T/QPA9W4lQGsHYb+QhY8/QcQ3QD0+zb5GBg+/TQczwPrXHD8vN4c/79h2v1M5zL8DgwjAhoBCQKQdST9g0Dw/t69GvuTa6z9LimW/k/WGPznaaz9W0u2/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3fddcb739bc664cca01d21a5ac0432ae
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ILDkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "z8B4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tvKSPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "k4+Fvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "j/xBOkWBJr9f7z6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHgaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "kMXNPhq8Wb54ltG8o4Nqv7BiN78zrBg/KE/Bv2wYNz92Qpw+3Z/fvz/JlL9ISx+/EpFiv3sYob/o+8Q/J1flv3RIjT4T7oq/+2/mvpCVWT+FrDi/GlUGwDP0tj/8AV0/oGT9vdx63D8Mx6K/nb+hv57kDMBF7s6/tDCMvpd3/L8vIwHAlCqBP0vxZ7/j9h2/lNiZP+wZtT5ycYE/bhsxwKh2s78szpy+uB4bQNR3TD8NBCc/TG0rQPxjFz9rssq+/ihKQFVnsD+78b8/4YCBQCx80D+U94g/Zm6cv9cnTMC86JK/pYz6v9h2EMDXdh3A", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f34b3a09bdd269e4b2ac9aca4e196aa9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "maDJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "O3Nfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lBNtPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EFyNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UiwPP8pUwb2inAC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHwaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "HrgtP4eAIT1CCMA9kU5Wv3JkAz0nveU+SsKav+QluT6+zoK/KN8Zv2o4nz+2U54/ogFXPyUriT8bOZg/Z1WdP9GSLD+Q0AhAi+quP9QVAEAX9HE/7vicPuJSzz7b7K6/GfCzP90alr/iB5G+0HCCPyXQb7/nDdy/icTjv8MS1b7xBsW/xIfIv4KEhL9Gops/lsDIv4Ob/L8MPyc/ynndv/JnqD+BGZC/Ibq9PnM/3b9i5AbAO3zvPwjnUr9SSxnAvZuLv21nm7+4wQtA7ekxPwP3pD8IEPC/c8QmwKcKPb/je7I/QhsaQH+Ai7+0PBO+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 421044ac8a876b150e6bd467c32ae6e5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UxO3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "r31Rvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NC6cPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dgNlvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WRenPuepjj07jQw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "jcvXPm+UVz4N1a690oBmv4XhUD9cJQG/+NWDPtKCnb/czNu+PM9sv8watr+8i4K/axjavz/Rar7sXZi/Ag8KwMeloz7Av+c9pM9+P++F/78clG2+h0KbPyIQPD+Mi4w/5Yyrv8WJFsDBorG/69nbP9fudz/sPpq+InzTP3S/+z+iFTm/w25DP3XuzD88Aco/1i/4P0WmQb6QLQNA9zklQFcTzT7RtCG/jScFwDuFq77DBno/+zZlv6be5T/BQHm/ukoaQG3Bgr9MmMI/SYNDwM2lbT8MuoM9L+ygP8rMHL8J2DJASKEuQMeMsT7ziiVA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d296e3b058f3e90646f8b11d82bac641
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lKLmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QZ1yvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lIPZvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zmxXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4sxfP5jdE71D/1Q/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJgaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "mtufP0Fa3j3ieJC7KAElPuJxB7/OdlU/Ro+BvwXjAj+B1Tk/h8jnvrdKzT+7fU2+GykcP3NSej8Ep2q/Vd8kQO8/CD/vsBE/hNw0v/M2zb/TStM9rTQfQAVpEL/V2/a+eDjrvx1tEr8xyDQ8nbI8wEbMFr/Otd++PXK7v3uoZz8erNE/giOnvsBU+L9YiV2/6pk0QAQVgj4XT8s/CCB4v0K/HsAyeTM/Jqw9QO36vj+2Rn0+wASfvYrVHEDTsMg+yZU0QLx+pL6H+L2/4hKXv6R0/D9yTW2/9acqQDqLy7/2Qji+dkj7Pn9HTr8iyeo/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 27c6954c043aae745a8d2e2d1a19b66d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EDDcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lIR0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MQqCPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1sSavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eGIWPhJOCz7RBUU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "tN4DP+KKKD7/ng++LaI+v03Cbj8ZZlE+LrcQv3964D/D9WQ/4RwpP8eQqb4/pre/2+IzviQYtr9z1+S/yCOYP9TuHr8LQnU/S8voPyOgJz8tg+I+RFCZv7Sci7/CSP+/ASkRP+B/Ir8heg1AorRAvjY5DMA9XIC/bcfUPx3uxr+71Sc/SdjjP9hXwz8FOos/hqosQFoREj9Bcz2+LX8GwConrD54npg+E+58Pkiv7b90lSzAlBgQwN6pN7/Kv689cuHcv4solD+w4ly/m+wHwMi3BUCbVEy/9vExwFjLPj+MT4U/5uSfPzXMD79NvjhA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 52d99cdd7993825be535d456bbe60876
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WKXJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "T7BPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aRt/PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lbuHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CTgsP4+lr77LucS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "sxWSPwj6jb4W5xe+JbOLPEJNr7+yjVe+AqU8PhvFPT+T4zy/ynn3P7xuAr8kel+/a6FHvx3Cyr6Al46/NrrZP1W3pD26bo0/vk8aQHySCL8ikKg/OYyXvyEMFz+A05K9/RhGvwZRs79nnYw/I9EYP+fa+z+677+/kVicPu/rFcA9Khy/zUmoP27Q3D8sqRLAPtiIP1a3LEBWl1W/MMuqv5QKD72M350/u2uHvs71HEB0A/y/ZUalv6YhG79EzgLA60n0v1qtrT89JKi+kMRKv9z+8z7j6PU/B8oSvrkK0r+m2Po/L1/Kv3kjCcCYUIY/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f0b3b7087d6187e40055bb1bbd9a7dfb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TqPmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RN9tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YTfsvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WFhQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Jo0xvzqSO7/o9ho/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "UkIiP8ztNj3fkdA833Hmvg0nNj8gWWE/KxTIv23mnb70W4o/Udflv/eadz8/R40+t2kaPdIGqb91Z6S+dCKSv4Eqv7+S2pU+yqSBPze1VT/Wg5u/g9MEwAu1074t9QFA2ujHP5X1r72rrRk/MzXev6F9GcBNDGQ+2T1DP3ZLEsAV9Zm/G7JTvV2Gzj/fkO4/y/X5v4TIXz/W6kq/0jNvP/bz77+pCg3AlXAwPidjsT9FXNi/gD0XwNtI4D8qbEM/nGzgPy1TIcBVqku/z4LsPh5lkT8tnCFAFNkHQOE1XT93ste/YzlRPu4BTsAhb6e/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 91a7cef6e2eaa197f18b4a44323b1a61
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rKLJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3V9tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LzSXPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+nycvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4jsJvxDppz67Yas+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "8ipGPqjiED6P+Aw+3mATv4Oqrj8WB98+5YnWvmuym7+ssHK+m02zv29brL8FLXs+1RW1Pl2TpT/3D0a/dUEMvx6frb8WGqi/s/Zev3dWrj/jA9O/rquwvkN//j87xKU/RoO4PyYCS742wXM/ikr8PgofDcCvdWA+1DSYP29A1L9qoao/HmTpv92Fvz9Oyt2+KeQTP/513b/X1w9ABpOAvxtRAD/d0xPAd0wGQJ6iD8BBfb0/fjQmwCQZPD+q5Ze+5DVSv0XLEEB2yxDADKwSwFqsHkCNrL2+ikXKP2wF6j6sTug/3pcUQFLG5L3YqJ4+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e262217bb4b9bbdac5555294c9112078
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ozbcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ec17vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zxMPvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hQhYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FVeNP1Jh/L7GbfS9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "NIUFP8YukT0jHAC8rthovx4YCL8Lv0++Easkv+YLWr+i3cm/Xi84P2STxL5aMr2/bJJuPxVW0j7j5QzABDkXP2PvyT90Al8+8ci3PxPsmb84O9C/s7oFwHZRzD7kGRm9fliHPfMbCEBK6hG/r7ciwBNCOz/EsX+/ahkgwLTjQj/IqoQ/G6+Lv2ectr9rptE+oMYJPoeL7D94WpY/UEXRP0DA8j+xm24+tnWtPxlYM79wkII/NKV8P4bi5r5mYAFA4fmWPw/S47+UpmA/1CMxQGTpo75a2HI/zDtRQKU1Kr9BPeE/YGxNQMXMPr9JmA4+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5d4212da69d5fd2d6cce83ed10d2038a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WaTJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cLVevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DRvlvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DhJCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MLuHvzAvgD1jf9k+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "kN8bP3kxur29g809IR06vwXOzD3UwTq/UkAKvgB7Lj/VAJ0/K72cv619gj9k7ZY+vVLWvu71yDz1DQRAbk1+vxZUt7/7LRK/6nomwHoRgD+Xvzo/4IHBPqigxz/tttE/nODLPn3vzr9lf849V+nsv3J51b88y4E9VdiOv641+7/tMMK/09rUPg0uBsCChoo/91zyP7t39z54y8a+rRj4P01fzD8237m+PBOQP4QoB8DQbAu/liFCv0Ye+z66GeC/1ZA0QM39KL5ZyU+/w9s6wCoiMD268ZY/fnRQwGXymj8EKPi9dJ0wwLin5D+vx7w/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1af225456422cbaac16065c40c3b6d5c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yKmsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "j4lUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8UeRPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xJaOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "76yNvlch9b5fmAw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "+s+uP5fBqD3qF5o+f8yePppkCr+KYJk/g5tcP7T28Lw5V42/BlBkv8lYH7/J2rw+Ahz7voaxN78Yb4S/mS/xvwUyyr/B/Ew/1XbDv+4aKMDNkEE/C7OIPwdioj+Jhve+8ifAP+yihL6u6vm/R64LwA1vr7+xkOo/iL4xwGRYwL8xRDE+b4FNvCJ4DEAzbSy+GxEaQMb2c72PvxM/uJGgvyXuhb4Nvda/HFrSPbvSGT2I6wZAd3otPzRIxL8DvMI/Lppuv+Ig3D9070Q+zPu4vpyl4b/3+q+/8TB2vsqVMUBOroi/XLqxPqtNOUCAYhc/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 95ab25b892eec235da0eb4e5cdc79dc5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O2L1ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YYlnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ycsaOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kPRpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ms5uPxmtQz7VlYu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALgaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "xKvGPk3DyD0qZOA9NiUkv/1IfD9q8X69M52rv97wij88w5A/C4/PPlDbyL7OU6c/iUoyv87JZz7Vl/0/h3WrP6uTpb4TBHe/D8Fcv1tSwz9UEmG/HlcNQCP3Pb9VBuW+MjMWwBrp6D8Nyqw/SNc1Pw0Ku78SZ+m/NHZevtRzi78xtBHANw/ZPoOJLcAZF5K/rDArwBFj2z/gmxNALvCjP5H2R8AV+ki/6MbkP5YjWz/Adeu/OER1P6gpoT9enhvA9LcpvjpDI8Brw6i+SauyPyCN1b8fvynA6g4NQBC81T9d2p6/1ngjQB8QBz+05iLA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5dbe0e5630bed67cb262e7a01b39d95c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3kr3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/FVwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eESFPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Rn+Avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Cp03vlIsTz8lBgk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "0naSP3ICfTyc5lG+ZOFkPlKcmr/M1YG+m9TwPq9BnD96HGu/g/Wfv4uOSr958ca9PUhjP9JPQj+UyJE/byCkvtXqsj+LxNI+Eae3v+DX5D7IJPE+8G4lP9oVEj6uCAFAWeIKQPyOhb4Pueu+kJwXwM/SUz9Qq94+HYPuPoOJ7r+5/Rk/BtvqP+Qw4T8vybg/62PGPrOY87+bhLu/4CoIwFfnz792bwK/2/srQJAuqz9m/8s/uLrzvrEJFMBmXNG/JjzPvX/egT+7q+m/s7aVP5SRAkD6WIq/mURFwAFNo7+yZta+ucMmv66OGEB32zw/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 208575ae2b5b94cc7bb90e67415f5c04
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lFL3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kQ1Uvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fQR+PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2e1jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Ka6qvT6uhT+5NrS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "mUZnP6AzVL3G7Sc8JoJ4vc7fgr/EWza+l+erv8kJC79XSsq+48IdP1VLsD8b+EI+UPstPnIYDsC45Ee+ZvzVv6BkTj+6Zgy/D2BBv1TF3j+LXJO+ETd/vxGOMkBB5Mi+VaQOQIW7874pbrE+uMpEwFByiT+y0X+/yCJzwI77Jj/zm5W+kwQVQEn2wr/cfVI91qk8QIQUEz587Vi+pztRwENMHT924/y/BJBQwJRNCUAbRoq/U+xAP8b40j+yv58/LsgaQBoem75wt98/cmgAwItRob/VqiO/0JmwP7t9+D+YXbu+Wg9VQEoxCL8Vyfo/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fd71785c984f1074d5f0959a2d925325
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3aTJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2UF1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "skqJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mfOcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HQOivoJztr5g5VA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "i3doPx7a4TwpPFg+jKExvRrVmT8LkNg+LPG0v7AKNz8VlAK+kKCsv2/rS78ISW09CiKEPfQem7/hq30+MAXyvXkVtT8I5r4/0sDNvwWZiD+DpM2/1gXsPyx0yD3Mf2C/CjIWQCC/gT0Zpu4+M/hfv2+qmr9egbI/uMwzQM9XfD/OpVA/xeg3QHslWb8Awz4/cckDwPsNt7/62O2+/BWWv/x0CsAk8Mk/8/4OwIH9kT9cb+s+xW1Iv/XkLT+Xpg3ALKelPp0pBkD6Hq69IrfvPoI9CcCE3AW+rIzSv+qsCUBZpt+/A5YiwJLYJT+5qf+/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 94a9335c6c825af3b3f55d4a52c4937f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IL3Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "djRevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qmbWuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QYFXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8nubP8Kjbb6bWj4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "SZMMPx9iAj/drDa+Hxg2v0eSgb0O4kq/2asBPybFHj+B8qE/6s8dPgADJr+VwfM/0H2gv2vYfL+wmbY/LLquvwc1iL9s3u689GmyP/qhvz+WEWq/COPsP+YNbj2BmVq/F6GVv/WSQj6C8/m/c3haPzbbu7+dGtQ/1Lv1vzkXQ77zYuM/e/qVv4K8/b9fhM++C50mPnygAr9tXD9AE0iGP5gB8j+Ule6/SN7kPx0lCL90c+G/blUYv9kjYz8VTxvAu8UrQCjHQb5Sr1C+K8H1P4+7DkAyRZ++XePOv33E9r8mtew/LJmyPz0QeD9Zss0/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1af3357f78a1c5784659a9b79c1039e1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "My35ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "T897vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xr7kvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "djdfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qyYovn41xz2Z2Ky+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANAaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "dReePiw04b5BnhI+EsdfvxF6r77DQia/TGLvPV780b/KC4g/enZGv282ur8r7NU/k86BvaRUIsA7ueU+RyilP+Ou4r/+Ie0/H5CTP+RvHsAdch9AGHHfPtfs5z6FvkM/UZm5v0cJbT/xd0C/PI44v0Ui2j+JZoS/aT0LwHiqsz+25fo+QTINwA8rUz9B5cU/xBXFPx4SG78Up0O/DNitPxZYur9kZre/z3AswBtgGED7MLE+xcwLwEQ1ZD9ovci/Ik8ZQJnrXb/+IQi+vdDrP2AmFT8jcMa/DkgGQKvCyD+ILwzALogVQH+7G0B+rTDA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1af2e5cf328491af891b1a2e89dfc534
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xi35ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NXl6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "G4WkvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kuhlvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Y3rOP4Ic1D2pvKW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "SPcXP8l3Pz6vv7Q+4/s+vzTLCz/9KXk/WshNPCgAxT/D1KQ9wArwv1+vhL0T4Os+Sr7qvkE82T/Dn2G/YM27P+9a7j3DDYA/ea5Dv69SUz+wxxtA8SP2PvkaGkArnQc/XWH5Ph7qVb9voha/oDbKv7m4UL/f3JG9bG4cPnd5rT9pbzJAJA3Uv4JLCT8YBExATijGP7V6Zb8pDcG/wFwhQFOBgr/8k4S/46q8P5XQ8b3ZtDLAEYwXP2l0+j52HD3A/WmjP3yIz7+qEjLA3cmHPujl/b+HNDvAWTMDQBXcEMB88kvAOPcYQCvBlT6l4EzA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e369c82f92c7a7ea0126473793b93e66
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3KHmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gNZsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2IJevA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Uu5evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4ISivozbUL9tVt2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "/dw0P/lkhz7nfXw+UNvevjiiQr+u5p08Oj7gv4hWQ76B0wc/ucVuPWi3vD+3mU4/Pxupv8AuhT/KG7A/nFIiPwBKhb9tBYE//9a2PhXpfb99eQNAYerfPgGNJ0B40zU/65Cbv6fMSj9HAxxACkmyP/If5L+l+Uc/rDahP4Hfwjzf25S/Hy9WPTt0db9vfrW/jSoXwP/BCz7Dd6K+xD4WwGbfaL8Q6ow/e/QAwD2i8D9Naqg/+wMpv9yiA7+3DQjA+jKpPs1RE8DC2t6/EhKfPwQ1aT/tC+a/9PsPQFL3376Cipq/LgQtPx2OFcCz7CjA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8c999358c8a598d3cc0b71dc170747f5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UOEFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9il3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ahX9vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SYdXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FVe1PjYCcb0Uruc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "RsEHPwWdM74WpJY88W4xvwqkcT481lW/NpW9v7rCLD9NNdE+pUYKvqGGGD9Fz5k/T7QHwA1rLb7o/zQ/9KoLwLqT8D9MIJs+jmgmP2ij2L+S/G0+Hwo4vhsxjT2C4QlA6RSbPu79yj9pu6s/uEoQv8sDE8Aueio/GWJhv8TBmD7/JgHAvgyCP7AvCsB5HjG/Q/3qP8pkyz7gJgS/VwGyP/Q/8L85yIE/VBbbP6NPvD9Ivje/4Io1wD429j/x0YA/2wKMvy5nIMBaBeC9UdIEQIQKtL2Bu7y/NTw2QCOMLD723Og+wBxrQEQaCj+bZgY+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8b0addd1d516ae7c61b8f901dab96870
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Fcnuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OQt7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sCANvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DcNXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xOsqP2QjUD7AIQS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOAaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "1GICPy1pST6n0d6+Gx40vLnOgT4Mvd6/LGcRv/iLV71O8h4/VFPTv7BTB78YH7Q+UKmGvoTBpz7zFwRA+4LGvVeptT8qiQVA7YEwPwAQA7439xdAc0mmv0c8V71iujpA48aEP+kCkT/RIj++5XrEPwq9cb8jrdu+6BN/P5ML778SZzK/RB33P6xiib+1UBU/prlHv3wgtD/HiQHAy9jZv7MbuD+LK7e/nsAoQOPdGL8wPKm/WOdQvnfiFEDv2+u/ZqaFv3LyrT/kN0XAPmgRQEOk/L5p6xDAKwZUQPk7rb8XBK2/7Uf/vwhszL4fZBVA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 739f869ce92ee3273b1d5ef9c6065a63
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vb3Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "io9Pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oN0hPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8gZ4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VwQfvz7oET+BJoI9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "xhSwP8snrb40jKS+ChyJPl0+hL/eYgU/uD2Jv56PnL7vI1w+pyUqP8WuXD9ScmO/iJ4ov+0sWT9xMSe/BJgiPu+qKL/vvvo/qp7QvyJk3D+K8I+/trqkv0HMJkB2W7y/yqeRv8508zxbG94/d2n1v2IOX79gMkC+9fuWPtykB8ByEMM+AVAbwPZU7D+AQAS/Io1mP5hLCL3PYhBAm+SXPwBLzj/4d7y/NsgMQGagUL2PZrM+Bp6Tv9fVjD9XOfw/kEn+P/oTkb9hXLK/n3aiP1rhtr9aNwPACjAaQMko/b/vB4K/eLX6vyB26L4XsBFA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cfa007509a7f6450bc7895a3c524fff0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1jfcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "98hmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+ip5PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "24mSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8DMWPx2UoL7jU5A+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "zJ1xPxd0uLzIlsq9bU6FvpERTb/tUgU/xGLEPtERjD9fW0m/vr+xP4LbiD4Zs64/Oe/3P557NL+VfoG/PGZwvw2wqD+Ma4++IsS5P/9Ug7+fBfi/9IS/v8z1t70Myym95ZKaviMH8b+arrw+D+2/v38c8D8mNoS/FjD6Pb4+pb4MlO8/ne1pvzDG8T+FDig/oWMVwK3Iyb0SqCg/5+AXQPyEyr/q5Aa/B9QvQM4lkrzHDKO/gKh0PmXyhr/57yNAU1vCP5uzqT8Wic4/0Y34v4qvM78jLJ+/LQgTQGHrjL73XNM/Erqlv5gzAL/b/Pa/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5b963dc405016ebdf331941d34d51950
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JzPcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NNVzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+pdkPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mX2Wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "w/UIP96OjD/f4Au9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "faYrP/OiiT6qL9a+xDAHv+WqCL9IIa69FZW+PolJEr5cXYM/uGXJPjA73j+vodm9SudIPIQ/pD8kSqo/+LqEvwBMtj/p9M0/LP7tP24BO75yn5u/ZgIVvyerFECAd3C/aiHAv7I+P70xOQS+tuIWv7C9AcA04Je+GgMqvxNMUECKGja/OhTcP0q7pD0UShHAcPAAQMJZob8JvZO/C2fYPnq8HMB7U7S+nmgxQL93nj5Nel2/bOCMv7hsEMDsSp6/TJmrv0OJKcBLeTs/4B1svxEsGcArGsg/UEcoP/7n1z/9PwdA0BupP2+oFEADT9+9", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4d195248984479869e5d8fc3e2316dbd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ujD5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rYh6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bojxvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "n1dcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xoXDvXxhgj/mebA9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "k00aP4suJb594ji9ODdVv8lvB77pcQw/8eZLPt89jT9o2mG/YzxXP8xSsb9bqWe/tUWlv3s7VD+zMg2/k7PYP/dbsrxRPlE/PxTmv0/mpD5hMbC/KyHkP12abT9aVXs/V4vJv12Bm7/pMaI/3RyMv2PbxjuFDAFAkmlvPudJ0L/KuvW/25zuv1Y12j9tGHO+x66IvxkNCsAKbbk/bG56vnvs2r3FkytACcEowG9XqL9k8Ig/v+Xpv1C4PT8OURVA3YLRP7CbA8BV7AO/0gX2Ps1+ij9SIfi/sBY8P1T5DkADXVm+SUNWP4cpPUA9WFa/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7b352e805bec7870db9c9847550ea55a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zeAFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3qyBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nMO1vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SKFsvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GLJ6vzxr975oy9k+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APwaRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "mbQPP7kyWj0DG4c+wA/zvrYOgj+8R66+0hgVPi9+RLww1pu/DadiP1vupD7d0vi/kXT2vUZDAkCevPC+rcQev3ujjL8XD8+/Vfxnvup58b/ZKJu/5nUsPkLOjb9/wZI/a6Fqv2eYlL+obqQ/mkP3v1b3dD90sT49klnyP243JT8t4wo/y+cMQM3otz9h9za+VislP9JQe7/G+QdAFLwUwJKES719GhC+5w4nQDAwqz6Lars/BSUDwMxdlz+ZJ48/plAmwMVz9j+djkC/6iMmPxVuE8DYdgI/G/1iwLEZ5j9TRye/WYb8PpFFQ8BgHow/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 95982d3f049cae44c78031e2a18679b6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4Uf3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ei5Uvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3j4rOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DdtWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qaQ+P7snTz9bQg4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "hfJJP5ORmrhLU6e+gpf/vHY3fD/HaBc+CKOgPjGGmb9r3yG/xyO2P1kC+L/2lIm/Eq68v5pgST8ugN09HiPfv+aQUT6/M0e/JAYNQF25mD0tTg6/XIggQNC9lL82F4K/J+UBPzmGE0DmBtA+MNJbQOytzr95Hqu/T9YzPxgrOEBmVwO/q1S4P+tYD0DlVHk/Snk3QFLxaD9KOtW+jiz7vzuF4T8pseY8Tm9RvpCIN0BTl4E/jgsAwKUIij1mwqw/dPnJv4qrcb9pILE/svrVv1a4Gj/gPRBA/qJawNP1Pz2yMp8/uqRwwO4HG7+sBO4/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2af4ded841fd026e76615561448fcfea
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MLbkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "n5Btvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "G0iXPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0TyAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wcU6vyrjVz8b2Aq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "gF1GP1VkHj7kJzE+37I4vm20lz+Yu5e9CZ/BvyKzBT8ZuHC+zxR0PVi5H0BBRRg/1IeHPtFtFkDQgGe/IwNrPjQLi79mvqS9rzdyP117JEDhSps/m/Sevw9Yb7/mu3i+yyNgP+diCsAgUDq+YQ3vv6/zkr6AmnE/WCVMv3s8Q0C/eHU/uPvkv2YN1b/SBFO/n64UQAsZCcA5s1+96WI3wGgj+r4fn2s/2X4xQGt5lL/fWHS+Bf4vQGOlN8CVS0C/i/cRwG1GfD8q5Fe/Q3qkP0DuFECpYaK/EcomQEh8HcAbm3Q/jv7mvv7EM0BVDMq/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bec6a25db1e899a3becbbc330dd93efb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vLrkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wrpivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "G2K8PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nUZ6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CqKev27AJ79FDW4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAgbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "MllvP4a6Oj6IOye+VyM5PUzLsj99he2+L0RqPmUMD7+4+3w/8ZOZv9X0jT/wSa49S9b8P1Ec6T4hNAE8e16Yv1orvb0ZqV8/DM9Ev7mhtb/1VXk+cvLtv7uU3b3JN90/wKbcPuOQGUDIfpK/bNcCwFQ+vD+trai+MH9wP8p7bL+z0hBARye1vnvQtb9uNJy/eFmSv/ZYFcCpuTA/BSCoviBmREDMSKW/AwlhPz3EMr/Z8KS/JDKnP9qQBb0IGzJAIxrmP6pZyb8s9ANAdb2Nv/FVcr/G4e6/DKIyvoC0G8BK1su/ycGKPuE8ur8UljxA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c7afba651df6664a4f4507c17df6d589
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BiXBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hQaCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XTSEPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nBOjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Di0yvwAAYD4mAdo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "YJ5aP+o0rDxlZ6G+/TpuvkUIbr91FQs+B0KIP4vBVr8pDmg/jVy9v3Mcvb5dPUc/s5Kcv1OJvT5iTMY/LXv5vkj2CcB8kTi/GvyxP3TAk76Xqpq/CaqGP2HusL4dye8/RdzgP/jr1b9K91c/pigSwN1GYD5vbXi+ds86P1M1wj9f3F2+SVX+PdEU8j/MDIe/48PdPv85IMClS5m/D30BwPubl7+O66M/mbdJwP0n0j4dwf89LZWbv9rt9r+ppMC/n9ZWPtjl5j+hbTU/c1div97EPsAl2fG9WOMCQK0bBEDGBHy+Fhj8P2ldQUBxiZu+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 390d244c0f821a0d7ffc94db118326eb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lDjcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5QlUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DtkAPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KEB0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/n22vm/Ylr8Fbt28", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "ymdjP32XFr3mqJw8FHrRvgou3rx9Blo/tfyjv2QQer9b2HM96DFivhymwr6jdvA/P8h4v6PIoz84umQ/1iFVv3YBkL9w7pi/HhnXPogbpL6SWre/0GBbPomnID9RMfm/rNsewIKusr/DESI/7iOWP283W7//RwHAacf2vxJllj8MdXI/w5+8PxoHab94frU+70gZwAEd27+brcs/BPY/wIxXBMAXnqc9KerPP/vJkT83/2c+5tQ6QCk4jT9Qc6a+kE2pv0Sn2r++wvu//t45QHjqhD/jGLa/8TVgQHdXgT6YxHk9IMNaQAv/AUDlIh69", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fd3f5006ea3febacd2eae5d2a117efa5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "N5fmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XvJfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UMeDPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "A+uQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nNwvPy9uMz8oYaa9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "VB6lP7e+Zz5j7dQ9dVYDP8tfwj9wJ6y9SpcaP/1PQL9LpF4/7V4NQB22kb43RXq/E0cev+GDkL9HtJg+RNowQDKadD6mn6s+I02uv/M4Czyz5Ka+sOUVQLjdnz4Ezu+/661Rv6Z3pD+Cl1e/vtvsv+eNAb8xVmk/qMNRQJfAmD8Xpa8+mWRJQPDg+75IwYQ/UHInv48MCcCQaN293ViYPhvv9z9TwGc/LlQPQNqRrb/bT5G/2ZmQP7yhD0Ch/R6/Et4qwC0qFL+ltZa+m5Ehv7hxmj99sPW/RzfCvyw4B0AY2i+/298KwPImqL3npuw/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ffcdd108c924576ebfbdf113566c35ab
username: gastegger
key_value_pairs: {}
data:
  {"energy": "96Hmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "P6x3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+rmhvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AHVjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KPK0vl662T76Cko/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "bZp6P4JwHD3i1nE+sIxHvdg0e75aIak/qti7PbBu5j7w9HW/adO5vym5gb5zFEU/HEylv980Pj8EbtO+8UDjPmvO6z6BcgfAFEuWvx/n8j+ZayY/8TmEvzv5VT94qt4/UCenvzrLdT9e+zFAtcW+vryCKECU4gQ/nYUKwO/ah7+i1Fs/hcLRP0Y9YT8rVPk+qwsIwGxKG0D9azo/xA8EwFm7Vj8dEJa/YxrvP6umk79FVQ++cvGPP+TQEcDyqxS/ExxWP7JBBsDSsr2/VxdFPhobeb/qmwVAtnslQM3nU7+BdWe/KOsbQDagvb98aDw/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 11b1a5ddde9e4f4b55f9a25444ccf95d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TSMKxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GXCGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TisFOg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "r7KGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LWCiv9/guz4JUNO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "RmG8PoJcXL7MN029OVYDvyp4pb/QpSq996jyv4pLcL9yIxe9DnMMP3D5AT8zbKg/r5sRwCcMED7H3YS/QnWYv7y9bT/iC9e/wqsMwJTtIr+wi3o/uy17Pn/rGD9wnKq/A+bNvUpxGz6wcQdAvdAFwGqeyD/KpTW/SQvSv4xf1T8+pUo+dBUVPy6HzD/kZac/T+5LwHIhcL0+Ksy/S/6qv+YbpD+DqCzANp0rP17ujrzPhAjAshYbwK7D7r9leoq+m9RaP7qZwD+vtaG/f+D1P7f1Hb6+oaQ/U7naP2p2Q784RY49j4c5QFNkR77apPo/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c91520fe24c29112a1cdc53eba1f1baa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xS/5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cSB0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2a+7vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dqpcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "za/2vr3jTL+wj74+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "/xeFP1JIvL1P6rO9HhOGvUvXnT7Qmno/47oOvwAokr83t4E/IM3vPpDNwb+w/re9g5Z+v2rtyb8E5rO+7+6Hvygdsz8o2S0/RszrPupuEz+rMPM/xaeSP4UbLT82g7K/lTHMv5hXNb//Z6O/1WxSv1Ve2L/AbPQ/5HKwvxoxJsAwn8a+JxwiwK+8I78il4i/geSNP9qmGMAmiiS+apRCv+zGH0ADzY0+Zy0IwEHJkT/ZJGI/zAUUQC3OPb5Yygk/P4UuQK0MLz8jLfs+7uBFPoQjNT+Q6fW/Z626PxuR2j/7nJm/hEDyPz/eRj6IFwLA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 145b065ff1b9a0bd538ee08c0b10435a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hN8FxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UOJzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZD9LPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FFmTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4C2MPzYCGT8ZrSu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "06MBP1ikpLqDz529Kv0sv72I177p8YG/jSvQv5JDyz4JAxa+EjBevyIKwL+8koC/+X7yvgElRT+EhlI/dCfKv5BJCL5NSqE/ZhO0v7Efvr+Em8g/B5YbwFbIgD+n/gm/djUZv5MHnj1pjxXACnl0vqOj2j/h7ac/+zntvkqF17+j6bw/EyoTwGNgrD5jgPY/mSiWPw/3jb/EngY/1y3EPy2jZD9QSkC/8eZgvktoG79jXjnAOICGPy4y4z/iyJe/PbsBQEw4qz7XS8e/i4wdQAwynz+nRY0+FNBOQKTa0z/37AC+wcf4PxD3Pb9NVHs/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f7fee22a12a7a611cfa6078e026aab89
username: gastegger
key_value_pairs: {}
data:
  {"energy": "J5zmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MgJ6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lUUhvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zbBRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "StKRv8psEL4MzbW9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "a8kgPzKrYr0coQM++kxMvxiuF74KMz4/dTGJPkisgb+Q2GW/2HXTPv57uD/E4jO+wMnrP5k25L7wNWk/D0SFv5Y6qD9EcaE+pVQ4v2lszz98MpC/dswFQEiPw7/uC1k/MoAfQAAzpz7Td8k/HY+Avyp3qb8/EnK+3+tiv0OtEcCgc5k+yXjNv/UQAUBahWo/rrqTP6aaDECJW0c9m3xxv7/Cqr7JMuc/K7kMwGNGtr84dpS/t8Jev4PxZz+VbPa/uSJrv5ClKUDHq7O/cFQdwOkT8b4yZc+/7bv/v1TECcAZuPm/tj1EwKqA47/iwxe/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d1e0d0fe9fd5a35fba95f4fd51844f84
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8qfJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+aN4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HuG0uw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8Pxyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6ZrJvoArWT2LbAc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "ULeDP0YIlb4LF1o94JLtPOGZPL6xq5o/diiAPse+ur58d5q/6m6jv0wXPr5hYh4/qD4zPq/qRT9HIt0/Y+YSQH/bwb4h7Og93HcnQHAlub7Y94o/mCSZvydKsL51SEe/iL8rv3+iTz9yTMm/3fz5v++Fgb+YhJa/s2AVPmuxqb8orw1AWRQlPwZJer+ybADA0dIGv+Z6DUCvzIK/S9fevuvqDUDqKYY9IDW0v+uyM0BvRaO/DCNyv+PGRj+z8yfAiL5PPB+aEsDU89s/+6WzPjKULUBeX7i/lmqQP2UNqL8xjyxALjoev8xSnL8hNz9A", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b787216d52aedac62dd6e6e087795c4e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HqXJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GM9wvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oYWEPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9IiZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VAAsvlFrjr8Pf829", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "8ot0P9qVAb6xdRM80+g9vaGdOL9iWoA/V3bsPrJYlj+WXda+BRnGvhaO/j6BT7G/5msYPzXMMb/cjbG/T2QYQKfAmL0mGwA/Odrcv0TWLz6HVja/clccQBB4Bz+gl7Q/gfW7vytoD78pWho//mtnv7Q3bT62Adw/zH1IPrfh2r87DLm/cT6IPndY0b/iacA/H3IBv22CiT+RlBPAulWZv2C3M76FoCZAQR4SwAJzjD/jcAm/zmWzPx1wDr9OAgfApNQKwO6irL+LEl0/wwUVwM4s675nGLC/He4vQOdDir/RjDo/++9BQLzvvj5KKIO+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 59bc8ac36d89fb79625063cd605d4f71
username: gastegger
key_value_pairs: {}
data:
  {"energy": "l6HJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Cr90vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VpzqPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SgmJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xEJtPkZ8pz73O5Q9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "BdoUO0VbiD7CRyo+BQmvv5gttD7HkEk/m6dpv86Atz+DGl+9IBa1vzh8/T7Omu4/V6Z8Pm7VHL96Q4e/6R2PPyVV9j5uRIY/3GAcwK3mxr5+iqY+zg4twN7HorsQNAW/zxgDQGbkLT+jveQ/OpMdv9Z7D0BcHPg+LxE2v4hgK7+pq8q/qfkjP/gPAsBw+iG/q7kPvivqHsD4y2S8J3M3QHUHWj98aRxAoxajP21RwDyy3v+/ojfJPxrTAcBvdG+9pvRJP8G6KsCpWcG/Vyd0P0zygj8wlhPAdgUQQFVy6D2HlcG/RFyzPyK7Fb+8jTnA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2969be14fd760f8ccb0b6ddd776bab36
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wjT5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qS97vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "f9sTvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yThWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "n8iHP42X0j/zVBe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "oU38PpnD3D1B+su+maB3v1zTyj2DP2a/V1fTPiOB1j/Gyu2+VfYYPxf8zr4sA4c/E+O+PyhpDr9YKay/cn2QvwnfzT8ZDjK/pKNvP90EA0Cva62/7EXXv8Q76j8x5mQ+cypgPybeE0CL0jM/sSKLvZ4PFj7Yddw/p46bPla98L9iP5w/n/DPP4LDZL60M7M/El3Uv/n5Q7+oza2/x8ShP4v8zr/y3Ly/80m6P1xowL3oehXAQwMCv8s0FMDWwv8/C1HIv5ohC0C0usK/XdogQMiD7b57zHa/mZhpP45gJMC+Hxg/PgBIP+7IUEBtLRk/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9bf21840975e0f3d286f718726036efd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iC/5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IO1vvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cQITvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hCxLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/aSmPzgyDz4HfG4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "549XP16Fl72epF4/FCNFPy9Kn765fAK/zLo5P8fKVD/296m/UyPovqxqF74Q3ts/mdPYP12tpz+sP7u/9rKJPmNOd78HRjNATDOwP+dHXD8ApIs/CoCwP3Hfnr/tJt8/7PqRvvpd6L+Q/kxABB6dPwxxDMAs650/mIgJv+jD1T/FP62/M4mpv0iqrz/PQCu/a4XMv7TXDT6PScE/rFpqvh0vNT+jpR7Ae/bgvtolL0A3IsO/SaJ1v9Zl775E8CfACqGTPVzqjj84DFzAW4waQLPKlL98hgRAOZpBv1Vmgr9btu2/rvYaPwzgrL4AXGhA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6c4551fe9ab1e0ed982eb7187c1d5473
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Zp/Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "f/ZTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AHONPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AFiNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "x0YYPwvSvL4U0BQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "iRQiP/oQwb1oR06+GNn/vq7Le7/H+DW/GMaTvWEqjj9mp1S/LgqXvwYgaz7E+Km/MkXZv8upnL+HSm8+jPhZvk+G5r9PnrC/+gWrP3MHBL5Nko4/lvISwDb+tz2zgKu+TUQHQIlLu75kmSK+perIvsOt8T9whQS+00WUP3/rfb9e6+A/r9S7v3Hznb+Ul6Y/70rxPoXAyj8kxNO/yAW5PyM+jD8GBOQ/yg8eQCxTr79Mk7y++QgxQM0y3j403f2+ZPsTQJu+kT88uQxA+tcWwIwbbD9gqr8+LC9RwD8Qerz04VK/s6ERwNSTB8BFwNu7", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1aebd12244bcf74f734450c4db9f450b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "66fJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8G1Kvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "StMgPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wqJyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SilovAuYQL3nUgS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "uj4ZP56Goj6msWE+/Bp6vrozED8Q86c/gtTovReS8r16QoK/XLWWv7Qp/L5MJ8I/SrHmP1S3mz/e3kk+wYz8P+Lmd74D7Qs/E76yv28HAb89ZXS/5twrP0YoSb5JmwvA02SXP/VNJz+wpRjAo0kkv/0jub8TGNE/4LwHPuRc8L5Kkj/AO4rsP2/n9z/LsIA/27QJQIqJ+74fAss/IFEMQOcJyj+3Qj+/77YJwFVJE7/qArA+XQwcQFMeZL+I2z2+4gnYv3gAib5zMx1A0dD0v4YbS7+G9e6/btE4wGmncz6/Q9M+40AuwG5dwb+fcdM+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 378fb993f7eb65ab67c0b55a0f98130d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZabJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7URpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "whgRPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eVZyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Bi/6PeZ5UD5lwl+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "6u0/P7BNGT4uPFe+0bBPvmtPb7+wxpU+BWW6v2oNsr5dNSU/+gkIwP48fD5LBuS+NOW6voRQ0b98swu/fgexPW9Djz+ojI6/T0TjPw0pKD8rGDs/SGaOPk6F2b/6tME/CHoMQM1HA77wMt++ygvpPnuKgb9L2RVA5H2ev/dvkz++GaC/aawmQFLAjb+HyFG+1pErQOoqwD6TV6K/auI5P+BF5j+kH9a/i+f2PwEq0z9C0hE/PpE9wAvFTz/Nppy8N2wkwP0DB78584y/JpCaP3wAD8AG8aY/F3D2vkNpG8A6BOc/z9bbv5IB6z/U8Pi/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cd82fa8ebd6f5a0a1886cf76ec8a41f4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+r/kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "K76Bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "n8vUOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WRGFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2XwcPsgH3T73WHI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "J1YbP9k0kj41MoE+u/rGvoeDVb7o5a4/t6WFv2Uymz/2iKc/IyG3vidpuz8GdHO9K38IwHfznz/c4Kw/kTWEv3DLlD9dB16/XC6PP/GHAb/lE3G/52G/P+I6LD/v+UI/Y4fVP6jUwz1nrey/g3J4PrGvNECQmbq+xdWkvxGMpL+VOn0/ddmiPZDL9L79NRRAirv9v5NlCsC+mjA/ewsiv+9u7D8BPQZAa1BlP5zmSUDlo+Y+cUN9P2ZO7r+A+Gy/mcSjPuGtFMBQLam+dYSgPyTIFcAwB+O/oQRXP0deMUBel6O/uE8Jv8ohZUD/LQC/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e9b77203d94f7ee6b50521422ba25a44
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6Ef3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "oBdevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1SONPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "G7xvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/RP8PlVNjD9BZSS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "j+WlPiJmtL4ZSze+dHUDv8sXQT+BZ6a+Kk/uv70MgT64meW+lWhAviZkwj/GzmW/4xOCvod2v78Oqee9WgvVv6r4or8HN1i+BtQVwN7Ywb7p/FI/bykQwMw5A8AStC+/bTLev3JtdL1iBwJAyhMhwEqkOj90eJW/CjDmP/KaCr7J0lG9x4FawCFxBr9CS2k/qyGRv09iLT+HGu4/FXMDQFbX2z1Hg34/8DcUQLqpiL9dsJ++6ncKQC2fbj/XtWe/2ndhQEEhpT96KUq/LWFxQNYuzj++qG4+4fGFQH0y6T43voe/xuFsQFGqB0DJ5by/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 188713b0b0024c628dbf22ac6da9e31d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KJ/Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4ZVkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+U2BPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "b56Svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "C+8yPv8JBr9OuUK9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "/1t1P9ZTYD4bWOc9GYXdvQm8WL96HZk+JYpwPkzywz9m9wA/tVSuv0ddob1E7km+WoJEP+J+Iz+2L66/T5QYv5mTlT9QO0C/3+E6P5Z+Hb7eOAfAdO+oPZpL2L9LOsK+960CwAr2dD5Pdxo/NE+Yvxn68z/x9KS/5SGxP2xuvD8gKdq/U5UHwPPgP79NTZi/SzkjP+RXkr+pTNE/J/fvP/6P3b7WjIw/1Y6CPrP+G78UeyBAswtKP0xcDMBFnPI/9aqOvvNoyj/92bs/Hh7qv6r51L9ntZ6/qOJeP/cYGkA7HL0+e1AdQP+hj79THyA/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 44886b63895a4456d3db8f90e0dabab3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5qjJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UFB6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XeByuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "z4R2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NgIxPqgY5zw6deW8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "XzLLvWdT/bzt7tE987WXv5MZab9tW8C+OTSWvkw0iT+fATc/Sad9PzPB1z9WhIg/s1gHQK7uRj/SqgA/L0qGPxqG5D9P+QlASgKuP0mozb4dtRq+DZ1bv93v2b8PDoW/VlvNP/cIrr+QKaM+oUHQPz84Hb8eUcS/9XAkwKL7rr4fghy/zY0yQPr/3D5R2qQ/FbMVwN8Cnr80RxA/Q7ErwIv5Nz+3Dde+WUSCPxcdLUBCXSo/3JouQDtMpD+INX2+6RMTwBiaRb+vesU/KzZIwO/oOb+me7q/o/AuwLieD8AFiQs/NxWtP+kUMz7N9wDA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d02dc29516c48b6e1ee9ef5971e188fc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "v9Liww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1Ch0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZVWEvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "J55jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TODWPWO07j7zcY0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "rPIAP+B+v7xBOqK951TDvrkDgT+1csS+pQ01PqlHoL8wysY8/D6cv64Hy78weWa+3EsMwJ6N9L6iv00+jYbiv4oHXD9vqLW+GvgLwJrFy77f06U/4y72P5PWyD5utuw9XQHiu72v9j9x2BC/56cMQBO/rD9tlaW+Ff8nQCaFh70kBa0/dCg9QJtQJL915ks9SpgnwOHy3j9jOTS/0Imrv7pk5r8yCaa/SnkCQBjLKL8WBANAB5+6v1/vIMCQRJo+/pwdQDfzw7+vHkq97ulNwLYpLr8K5+C9hH8KwI1CJkAsGoS/tyVZQHy9Dz+uruU/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 93f92b66e5f6107c40874eec11e4aaec
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2KfJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BAN4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cM4IPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UBuNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "odtzv4gRAj49REM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "2MwlPyc2t773x/i8QuBKvo2MQL0gxIu/PSmcvhfAAL9KTpA/Ls2/v+VRXL1kQ92+C562v55kq7887tU+RNbyP1A+9b5urYC9oKudv/VfPz/k1V4/PvcqvyDtCUAE31E/rTqRvzJ0EMCJ88G9DYcmQMaplr6sR6m/QE8TwKnEv7/PPYY/QNL8PSatQL8JAgZApK0oPqTeDkB4AvA930j6P00fbL0nKwvAKuKdvtKqHUCJMec/sYlVQLJgAj/eEpq/w5lKQIo/mr+Acca/WqMGwN75MT8mmcM/4yG4v22NN0CVlgI/YoURwOiLND7SfZS/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5c734ec062a675c69eb88d628fc8260c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "g7bkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Pzlqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/3bZPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "D7SCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nBaAv1zJzj7fpu8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "8uy6PpSVjL6k7727aydWv9pf1z3vhGC/oKMRv24+q7+Z4iQ/xD2SP4zSQL/tcxq/IQi6vysjob8cTym/d0UGwN7uar2mJRq8AcPov0Mp/7/ica6/t7KCP1U3OD9kglA/EfhnvycdYj+m+QPA9zhLv2G47z/E6O6/utrUvzxlBL/hg7A/hNJAwEO53z7k+52+P3Osv1McZD6KFwhApUwawD8Qlr99f+o/nQM7vjg0Hj9YQC7AvNwXvvJXD8BWiIo/ToHsPibvpD+WDrc/myIXQJ0Zdj8pSkg/hKJKQBhrwj78m6s92IEpQKy34j83yL0/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4be6009aafc6fcd70111d2a750898337
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iJ7mww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bFxvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mdRQvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ik9ivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "duDcvS7KBD/q7HS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "ZoclP9wwlL7BYDK+P6sPv6iCoL/jmAq9/3lqPVqSDz6QdsS/mO6Pv8rkYb9wTbC/VBCrvzm1Hj9BN7a/tK8lPw+Wnz5fSRvA9UhavwLEBcAzjEY/Q+d+PzohNz+iZmM/fl7BP3+Fcb8Hx7a+UNXgvzn6rT/xWaC+J0UpwCORiT/b7pS9ipRKPiw7tD9yCpA/5JTMv6RDxr/mmwXASkzyP1C/mT5cvwFAsOgZQHWBoD/xEns/fKIRQKjnNr/LmQFALNpIQI6SYj9l0Yo+ZfPiv6t3cz/sdBfAefTVP3dJLz+IBkFAVVIiQDzyEkAZ2Z8/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b0a324e471776f882cf8280f73f318c7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "bKXJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BvZovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ck2BOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cgBtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sI++PqwcWj2X/xC8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIgbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "j40RP3tweb3QRkw+gXcRvyaETT+m8Lm+sNPlvxesFb6KjuW+djHMvfZSo7+cPz0/DXqyvxWDqL/3Wtc+kSAtwEUKsz7MZce9tkMHwKoWDr9r3OO/H6y2v2qylb+CHwTAHKjcP3Ne8T7IGG8/3CT5P8Mzwr0vh8a+7dkIQJv7Fj+yZ5u/m/1IvzWozz/wqKg+YxIhQBOPgr+nPtm+e9PtP+zr9D+rdIk/4QHGP1cWH0D3kD4+A8sFwPTNBsCaMC0/GfehPydEEEBLxfY/IbjkPtrPAMAFhKg/kee4vqWwnj8Yt6u/8wc6QF55CUDknaM/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 72b4676732f1641cfe18d87217514be2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Z6vJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MquHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zjP2PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bw6Xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "s0HePye9F798fhC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "Z7qTP604qz3bkrA8w0duvT1rgT/wMt69F1AEPwgXqL+qGw4+qJLhP0DiAj4vP2a/Qo0ev2CKpL+fRWW/26X4PY3jtb89zpM/CeObP+5xCMC5Chi90ur2P9k4/D64po8/uhVMQDj0C76DfJs/KX/uvnyKlj9YZWQ/q5pGQCq8m7/g6bI/TyZyQEo3ZDzlLZo+/3OIv/cmYT5z33y/uQ1+v8rUDT9QtwHAc7xtQAc3oz4jkgNAOdIcwK1i2z755BO/B8NCPtsE/j8chwi/1/ZiwB8LFj9I6Hi+kHGEvhRwzb9XLfC/MZS5v/tR+L/QUSG/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ff3210b35161253964971db9f6933c4a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NeIFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cQGAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TyJCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TnpPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "F7dRPUBN3T5/+zI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "ssUNP9tdWT57+ji9zAFjv2ocob6YFWa+0+qdP13wJb/0ppq9RB4QP4q6Vz9r5Zw/TPLpPweJWT86Ee8/nMMKQO5tMb4PhgRAWmtzPxDPmj8wPJC/XbHpv+k4Nz8DJgA9DozEv8QrlT+aIVY/ClaNv7kTur+a0Ek/XfwJwGCMwL8HFZM/UQKXv5rBX78h2M6/AQCUvyp6lb0YyhbAUpglQK3Grj8W7KE/8ABaPyNoEUDRz0+/olaqP99AZT9bdA7AWcrjvikD0b/hF/K/TqaDvtmUDsClOpM/sVQLwG9Aqb/fYdC/KCPaP0cKsT9g7DNA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bdd46715a85d2015350cc7290ce4b9f0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7OEFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "a5+Gvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gc3ZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Flggvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Xb8APvj8ML3v5jm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "a3TuPnLHET4S5mI+CtqAv863mb0rx5O9pNteP8/IQr/K+jA/pfjKv+SKrj7ciYa/uKgmPx7ypT8SmqA/pkrwv51VSb8UlXg/D/TKv4jgYr/Q6whAMQ02wA4Akr81RBA/WMjOvWQtBUDD54g/+MLQP5Qs4D9+D4o/DRImP0i5XT890iVA44ecP+J6zz42m4m/g2ZHP24qoT/kAs6/Brn9vdIAmT7ycy5AkE0RQF4iKD/lY1i//ZuTP0OWQ7+UHO6/IjHZP8j2GL9onEnAHJaUP8RjNT4Y8m3AXMgwQHbcpb69I0fACHTMP2KPxr+d92rA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aa593230e2374c9a31ec382995eab4d7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+yQKxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JbJ/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OgMjvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VvFWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "y9ZiP1pH5b6fH4a+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJgbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "pAkUPxg4nj7GP1y+7u21vptClD/7XN0+xlxgvq2pWb8F3zS/aEnGP4Yffz/xMJu/J3zOv1llGT9nX7k+NGDAv7reL79f0sC+mPYswKumxL/mPB+/2CQlwMpZjz9qZ1g/ZEnJP1P+BECDMYS/XcuyP4BfTj/3yhHAVHnvP9w77ryzJRs/H4gpQJTsZD7j/Ri//0j/PylbNz8nSLQ/BXQDQP+Mqb9zm4w/s3McwL3oHMB4LJS/NbhiQCSWLz+6Efa+LqpLwH3E5r+pZqY+Q+zoP6Qrq78xCgJAMsVcwL9NfL/e6pm/nNJzPtq81r9/p52/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 38c626618d23ddf5b699f85151f820f5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "bJXmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zk9hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LIGUOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1/Nlvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "toTMvhEBR74+6AE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "jDBUPx2Xaj6LO769OWDhvnQSQj9m2i6/wYwYP+/sVD4bLc2/E2/zvzDOuD5wy/++KspkPyhAhr/AzDM/j+I9v7wnCkC0HSe/xbRfPR1RBMCePjI+RiwKwFKC8D8IWRa/RVTAP5iHgD9UyIU+qWtWv/Wf97/0TQI/TFcJwAnulb34UPI+jYmeP/oKiL8t6QlAOAAowKMJFkDMDJM+21BsP/CYWb+zfEpA+HgrwLaJDUBZFb+/EtEJQFJhwL8TC6w/a2fOPtHdQb9ksgPAg7hIQCNK9b9PB5g/L3MVwI8ngb5FLaW/Jn+TP3xpaj+uRg3A", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4aae8fdad8b28fa7ae9b300692de14f9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yKTJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+S1qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7RGKPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eJuXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lj5UPu5fWT7ysCA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "LbGRP74nkb0pI2k+ktbWPeCXBD+4Qje/okaUv47dRz/eM8g9EvAJP0sUC74oics/UZw5P+4MsL+ndE0/iueRv8OTir6aSHy/89TePvhOmz/4Rb2/lz5ivyW60j6Kn8c/2hImQLijTj4GOie9i/qRP4QSRroIBB9AbjTNv/1bnr4TNfs/ZAOSv8rjqL9MjTO/XhHhvyh51D958ei9q9Jwvwznpz99lQtAydgxQIo3oz9Vvhy+TS3GP0Nb77/u15E/D2XjvwiHIT1LjAzA3RUuwGeu7r0ORgXAOCE7QFRllL4Obna/BC5OQP0hJ75yZ0c/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f672c3026bf9f87651a7984f264101af
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xTLcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xRt5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "u+2CPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UUmdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "X3tmv0D2Ij+Okhc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "PHIhP7gIEr4nnaw+PT4Uv/E1Pj9xOq0+gKDBvlK84T/1nyc/e/3Sv1L3Kz/lQza/hKL8vxBygz4e3TI/QV7SPmMI0786VVY+n7bJv0Lx770x0rq/rWAGwAjR8z+A2Zi/1QLsP6ncqT4QN4Y/6XRCwMmX6T+okLK/Z1noP4famz5uitu+wMPlPza1pT9FRMY/+x3VP/3gnT964k+/1DgIwDAGTL9xVmY/05klwCPKbT/7yqQ/w3YKvUKkAsBCrZA/PYObvonp678x1Bu/8lXPP3CHFcB4fee7BbEIQJKQ4b99XRi/b1AhQNG0x75dS78/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5e4efe1a562c77255d6c8309606b616e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IK7kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "a/Fpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9tIUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rrxEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kdV9v+53KD4GEjy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "L4CXPsHehL4P5iY+VBJWv4DUDj/APjY/Eq3bv82vIj//GaU9ORRDPqJcJr+3tqC/8eaBv4IaGj9mwgxAXucXvzUM5T9be78/ac6LvmtOXj0TujFALAWiP+4gEr+ml1Q/lVdTv9As2b70FxfANWrmvyIEq7yZEQbAbgD3viUD5r9JS/O/uXEBwN+kHT/izSZAVCjkvpTPsr2I8VTAl19FP0FjEUBH6tk/c7HBP1ZnvT+Iv+w/fE94PyXm27+jcvG/k52oPwAAtL/X+zLAAUOIP7IsOEBkN1c/ciFCP+bnOkBeSiVAb6eHv7a9JcAx0rm/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1535d8d5dd4e0e676101b741cde66020
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WCTBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OV98vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GXGhPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "44umvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "F/GdPjxr971KKWi+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "k3iaPZPb+T7u6Pw+uumWv6ZTFD8Zjae+WoDzPAIgsz/wmDe/xUGFvLzUHUAL5gW/jNvJPVNvjj9uye8/BvtkPzagSL8o19E+fUEAPzErw792WpA///j3P865Er8L3DQ/RGMSwAMAmj8w9IU+Djpkvi6lyT6SpihA349cP5X6p789O2a/aXkTPwOOjT8Jg82/WozMP2JAIMD8L4S/xKSaPzsvU8A5e8K+N1gqQD2sFsDBoEq/4ru0vzoKjb42bHW/Cn0Tv7zj+z/QS/Y/ap0uwD0F3T8Og9S+7t+NP8luuT/SgQhACszBP5zzNMBDnATA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1d197e627e5b42702d0af571463de4a0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "T5bmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PRBpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CYx1PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oDmTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jBX1vWL4ML8e4bS8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "17MtP5JzHD4jMEE+BNdDv+UWMT9d3zI+M3ahvwv/M79QfJu+n/Syvohvzj8cZmO/RrrAv26orT8SbqY/6l/RvwnRKD8fiAhA7uRCPnSUmL/pG6++66GIP+8Hqz9SMC6/BE6xP3bM/L49954/S/QcvxZlnb864cm/FEl2v+fzDkCdbdQ/ydofwOTG1j/lInc/PZDBvpoaDr/EWBnAnn2Av7hmDMCP2fG/fRuJP+Uj6r+MKzc/1TzMP87KkT/AVM+/1RvIP3jjCUCDaBK+yRAVP1eDHcA+SLs/EqD9P5qhFMD80rQ+7xQIwDxgm7/BP9s9", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6f8c4f7c9260ecda894925c2908393ae
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LKTJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "taVOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dY6BPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eLaHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "y9b6PStqwL6CHHQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "hmqFP1oKD76Yn1c+UXnPvdZeTD+KeD++lbuOv6EdKD+H/Vk/4Eu0PhMGnb/bloI/4A3eP4SWEb+p2nO/TvqAv0P2Mb9kKa8/Ij9hv+Nm7r/lm9M+UiLuvhFWfz+1ttG/zm4TPrcUBD/aKRnAJcMCwEr5WT8eHPo+nWm5v0ElWr/BMxZAz9wZPv/uB0AgCFW/U8ndP2dYzT5uFGA/ZNDCvyeKiD8AZ/C/XOuIv2T62b8yWiS/1xuUvywMNsCZ80c/2KxwP6S85L/wld4/aMmWPzBOGUBkbYa/D4UhQLCGhb9K0Cy/Erf3vs/8PEA+Pwm/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4f01ef428bd4d97840d6cb84a21b16c0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ASz5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8S53vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "W3p0PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xCaavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2LuHPw3Dtz5moHK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "676IP2YWI77xU6k8Jn/ju/lYCr/gaYK/LDw6v9VORD8/1ii/9Ag8v6Xi778N62q/uaXoPqWUlz/pFJs+/GVyvx5ecz9JIE0/rLp8PxVvB0B99OU+2buWv8UhAMBFoI89dZe7v/0mwj82Dca/1w28P1Nlhr8qoYk/GoXfPhHk2b46IwHAjBodQJu9GL9kTAg+tl1CvWIvLcCQ/4y//vqkv1Mqhb0Y59k/rjK+v1vl7z+6uYA/jlnzvqj+6r6wWAJAxlXEv3DY9r8Q1dS/+ZE1QKpwrr8sNgq/5ilNQKGDqj1Gigg/6kx0v9k50T9C0BbA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a46a3a809dbb094246c7ab10bab45ae7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Szu/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8dhfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0epkPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "04mMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7ndIPm8qUr6fH0a+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "rcpgPxzSg73Sv1a+U8IRvxs4Gr9hw8S+LZ9bP2PfBL92oZk/u6wfv7MUL7/1k5U///gMvxxnzr8DglG/Do+aP9bMID7Gt+8/efrBv4BNmT4l8YK/NFyVvwgKQj6Hu8Y/PPCQv30L+r+Yuuk/Ij2GP8MGuD8pXta+RAyOv9d6MD9bMO+/iTMXwGonRL5W3KS/+eHRPy8hFb9E6U+/Hwkdv2ICNcAqMLY/7FkNwI3EBMBzeNQ/ZzlqPq9z/j/ro0Q9CXKBP2De5D+kWua/nRrfP+/dqz9oXw/Ai83+P2QY4j8gx0c9GUt2vw4397/sETpA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4e05b25be72290f4f99029132c83b117
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4Dbcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eNNdvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mdcRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kl05vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EHp2Pgq6nb6mm2Q+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "Jg9UP8/6sz0CWmG9r09uvvMshb81q+K+Kk1VPq0awz0QYaM/2jOFv+Ad+74jZ0M/Qo5IPjOXoT9u0QhATXWvvoSxB0Bpc9s/17Q3P/CTqD8omGu/lndivXDIDkDFyj6/TRrvP4I9iL4eW6a9GPhdvznGhr85YOi/lGCjv4wsmr1B5ATA6wmUPr7mFMBo4lW+yNkJvi2FrL+kmSTAqhi1P3LPqD8hOOW/JcbWvy2m5L9WXeq/NRkiP1KmFcAucjE/Nw/lvzXIgj5Mres+9SXBvz2onr8/ybQ/hdecP9bTyD+kRRZAzfmIvqYKfT/W1kVA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 80712324e1ac22ca609666f49f4cb295
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/6TJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "44lwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XvOKPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yQGbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8UaGvuSgLD+Cc1Y/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "ryYyPxPGzz3kz/Q9umGdvrQicr/U7NC+yFHZv5y9075Q6eI8w4qCvc/5sT8N0j4+famBvmlZc78bz7+/jynCv5ceiz8+Sgc+LxZXv7Sy1T//HIa/OrEPwHDT1z8RRys/Gz/YPyKfd74E0Zk/QYYsvQX6EcBkwcK8nt6Fv1WFKkBOP4y/jQ+pPh5TDkCQl0I/h/cJQDLDuDzbRVa+a0YfQIf/VL/aEUq/GphAvjCCFsCDCG0/6mvdP2RVor8+ScY/3Yr5v3LdUL9mVYI/6VfyP+xJAD+nnvs/vB4sQCaocT/V6NS+9z0fwFMFN78OHSq/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fdddce2c32ddccd405d8bb4fffe79282
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wKnJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AWpqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "esXTvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UvFPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OZy5PWB2/75uaSU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "VmhqP9LVZz7EBWc+k+QBvuGrP79SskQ/QBSvv1I4NL8GjYu9B2GTvwtWdj4izZS/tynyvqks778+CRW+ar2bPq4cOD9/j4y/XWrnvwUZjj/CroS/VyimvkZrZr8OaxBA7x4OvzifaT2Y3C5AuCRdP3iBsz+kW/W/NCztP82Sk76S5kq8mzawv5e3Sb4+7AjAMzL4PegaAMB3VYa/LgFiv0ObMsDFEYM+R3SeP6R1tz+4bY8/XVITP/sbp7+Kyy5ALq2TvziDyr+IKh1A9birPpIm/z/XC7E/83PcP741jz+pFQNAWd70P+f2BkCWHBc/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bd91df837d3e64cfb8b3676d9d9f847c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SFH3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HQFMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "98o8vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bjRAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0NBvv4KL5b6JB/S+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "TWk8P1ZdXLz/xwa99C+DvooEMz4lHXc/DsvDv4KrxL70d/o+/O6gv2tiSb/P/Hy/b59xPuzXFb8k+ZG/udMtvXJxQD9LfQpALep+PwjDcL9s/hfAssuFP9DUlz/A9iJA/Ipyv1B0TT+qpzJAwQgVwPBRtz7ubwo/Hbjnv/d2n7+H1Yw/udYCQHk3Jr/sQBLAYGEHwD5ABby/SvO/B7oGwEvG2b7Q5TTAjL4VPwZl4r41xlDAjyj+P/70vz4k7WU+ATN2P2NDAcAwyyTA+hv+P4ErRT+gZZA/eGndv05pbT9RsQDAIQ3Fv2fv6r8i6JG/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ea1e461df3079fe98968025b3b6df0af
username: gastegger
key_value_pairs: {}
data:
  {"energy": "i6fJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zqpfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3xXBvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EohHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "V2A4v+BK9r56x8k+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "5rIuP/AWxr3kmXk+OzRPvyb45L3O1kI/FxuNPv8ydb+9t2W/EUP1Pv8Dsz+uw6294Tj3P0kjBL+9DXo/DdGUv+tKcb8pQf6+EFNtv6ddtT9AQQo/+CD+PgayGL//BOm/VZCMv+qmAr9py90/5/KTP9+dDUC4Zia/u8Xnv27Px76lYZi/2fXcvzKBFcCINYy+Zv8DQO2GcT0DDvM/JTLyP05Gyr8VlJw/7Orfv1AY5T8wNZ695tEzQPv1rr4ibLE+Y3ppv1Uv/j/Q9Lw/HKKNv7lDOcD0v90+rssvwPoYEsCdXPc92kfgv+tdOcAqUJu/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5a0d73513c959d19d01e816d4d1bfbd1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IabJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yjdbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "m+SHPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DJWPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Y7klv/iIMD+e0tE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "QbgZP6RUFz7h4908aRotvwMNBT8ohza/SHNIvumtrT/Og+0+cinhv4YVA7/6hdW+VUtHvwtUpj93VLE//HC2PheNkb9oUUA/UI0cv321ej8txti/sm7vP99Bsj55vv2+/nGJv1wPx7/TP/I+ltv3P6JZpz+YxyG/FVNQPxoHpb+aoNw/kBKTPcguFcDQpP69Y/CGPgdKD8AgH5i/kYDfPh05J0DhaAI+pwaQPjj+U8AWQJI+xF5svoV2UkC6LGu+8gxhPySYQUD0KHE/vXgnwN/Bhb242c4932LUv1ssAsCa9p8/JjoJwNJqdb8flKu/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 824dfcce506b6d6384ab8e26238e0f94
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vEj3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "i6duvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3lTEvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HH0Mvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1xKaPyNnib/iWMc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "g1nYPkeh9z5tS18+Qwh4v8V4dj+pSt69elepv4otpT8zupu/NZv5v3qsfj/0Ios/ImdJP7f+hD80PIw/BrrCv8Y5Kz8t1QNAeakEP5r6iL9gDdE+awHivuL0y795LcI+lUSgP/2Rh78hE3y/LLmuP0O82D4YFme/vkYOP6E4sb+vbuK/3NaCP1d+aj/hi9y/bw6ZP7L9ub+n888/vYkIQDt7iL9w+dQ/8dSjP2yMHcCaTNk/tAdGwJHKqz9rcnk/FoUkQHaV5b9rkZC/05xRQCOUwL+YmbC+DRNCQCkUx7+35gXA2R0bQNU0OMDXCYu/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 58ea9ffbef9efa0ae60416876819b026
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wBG3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2Lhuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "B86ZPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7s+dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lbfzvoKtUr5T0L2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "vwRlP+PfIrxAwDI9azJQvsPxhr+IooW+g+pUv4SlMr/iao8/Tay5PdH7Aj8Jupo/aZnuP8PnIj8bOV2/iCIUQAS8nb7aA0M+YukhQBMOm78w2Ge+nXavv3xVKj+N300/vC+XvzXVr7/lzvE/arWYv+NCBr/Iaae/AEzcv4WMSz/v1S2/jaE5vxiKvL7uNBLA76H/v8E4lD93JsU/7EQAPynEfz9mdAVAO7UAwPexnr/0Ibm/j/gYPu/KBMAo9Ne+ctHyP2avnj65V/O/Gz6gv1BQ1j+uw5C/mD4zwM8HZz8FJ1G/4JQKQACO1T+i+zS/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b1b76c44655679b6cd6968f585984466
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ay/5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "V81zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "j6iQPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zxCevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "M6eLPyy8iz0R3wE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APwbRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "MNUbP+GPgD6jDiO9SjfEvvMWNj+r/4m/UpTUv3NxJz7pVXC/bG7FvyFCRb95pDm/nhWzvgM6CED+k8e/3PnkPWVEgT8dOh7AOeXHPiiuM0AfJpO//p47Ptv1wD5s9rQ/XQyovwgZJUC6B+K/tONRP789lL+GBWW+RaaVP0pX4b/YhoI/rboNP8KPX7+GBgVADNHGP94bTj9olCy+BRpRvxgoEr+n0+Y/dZIgPpQ6rD+nnvM/7cOVPztMaj9YGizASRYNvyyaOT8P71HA4LhXP9T4cr8G2UdA1cpHP2obMsDXWoI/BbsQQPhD5r96IJQ/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: afd5a9044d62ee2cb0f98fa75fa9c336
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RLfkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8xxxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HJgcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7PZJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NL+avYy+wj1N1sg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "Wi1vP8i9MD5YJv88fCL3vUlpJr8c7Se/PAS8v9Y/oL4cYCe8pkhaPjTylT/4pV8/KUmvPaTjtr+AdMe/yiKfv6kxWT9q+F8/cy1Dv43TAkBllDI+yHVAv4HJAkBwJWq/JguIv5olP0CBAx8/8fwLwLcvUr0IW0u/riIOQK+ZAL/3jcE+bAILQKca9T59RDO/aAIUQEEPx7+tBQE+7gokP2mpvD9Qeuk/b8r/vxsQwb9qgkk/EDgIQL1LY7znEsy/NqYvQKY+Ob63EaM/F2+mv2Qh5L/pp8o/2noIwDerF8D0VwM+mB09wGB1oL8/sp8/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b3b8b227442ec968c4e22a8136134898
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Azfcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "n+R+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Qzd7vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KzFvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dAdRvzgVSb7c9A+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "cecnP6Hz0LyCwee9/ns7vyOG9bsDcBs/5isEvpIPBT6I+7q/55ewv4V4FT9BTii/BxmOv0UghL8wBz0/vqFDv50MNz+azec/eIq6vymC1j9RqRa/0RayPyW/qb/ETuk8j2UowFQHoTv0Pna/KRhBwBDb7z6tF9u/MJHOvyydED+/Lg9AWANJP9/fDcDnMk6+ipyYPgg2Vz947ArA+4fDP9xxlz/i1F4+AgAnQL+ssr8M+sI+w4N3P6kzB0CrL7k96vrwP3MbkT+rrp8/yZsZQJQHmj/0CeG+j9ehvnEhUr+txfu/kfw6QMWOF8BxTNY+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4822de5c814e2cb6215193cd694b4f0d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xBK3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vMtVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wQIYPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6Etfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JO4xPT7ouT5JgBo8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "TWzvPh//M71pEh8+/okpv6JV+b6NnYc/nR7Vv/ZmJj+GmYs/A+RFPaAypT+sZsC+qGkBwEJALL+vg+A+xOrWvk0Vh79jgvk/QHOWP6sliL9ipyG/om/zP+fZwL6Y6Nk+R5UKQHaEeb+TzKU/GySOv9tP1z8aRSk+y9UGwDJvM7/SeyS/IE3HP0ViRL/MTwDASzPPv7RPJ0DTxVO9GXspQPCMuj4LUw4+ZrYtwFsMqb/UO3c/daMcP0PD6z+X/I6/DRAxP0fgZb9TRyrAg4QLwHuKcj/Env8/0G/6P6JtfT4bAQrAovYUQBVzvb+3EhTA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 893cb6fc7b7a665b667174c825286348
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gqfJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "R3Nkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pG7nvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "coVHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uw+gPvksiz/WHNA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "zxSOP/wTsL0L6he/Z6+Gvp1vRr919pW+9JpGv0ZPcL+BW5+/o6iRv6sWLjtMARk/tY96PLsbCcAPVJY+oktjPW7VSsBooKm+sFFvPk/7B8CqEbI/YglfvzO+uD+2hxU//+KJv3/Yr77NlsY/ET54P8n/tz+h6ey+fp/xvt2P8D8crlm/u3N4v+gKsz/c89i/kkQXP00n5D8HgIA/SYDYvypN+z/M0oo/AM2EP5/glz/XNuc/B4I4P4gbNkDZtJw/lpjxPxZm3r4puMo9B4DoPx2L+j/EqWq/dbK2P84wwr7boMy/focKv3CiPUBRY3a/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 825ca48fcf15b1d697a392520379cda3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KKfJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/mBwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mUqfPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JQOgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "m8kvvzoeEz572gE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACAcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "oMA/P6oOhr71rjy+e4osv+kCVb8r6Ne+P3g1v8AWY73IR9e/TUxzPUCxdz9EJ2i/ISXSv1QdhT7vBvm/D4Kkv2cz8DwRlT0/+7Jwv28juD9wois+Vr0Av6VZBkAWrWs/2Pflv28/+T8y0ZG+4rFnv9bq8r/mY+i+uRd8P9msBL42b5o/TQ8ePyN92z8Vlry/iIuUvt/Eer79mu4/TrH4PwkNX7+6Q1+/iwrNvgIzoL+zzBJAxmjfP7C4er+uUPi/BdoKQDoK7b/Bl+O+8pU0QHk0b75Rtzy/wSarvtIY+D7SbCtAMSoVwJSgGb5G+X0/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c35002400c5e6ff625b4a0ac1692a054
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lE/aww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4q9pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GvfmPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Y0eDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Jqo/P1/v/j1AE52/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "lPYjP/wyiT4r88y8d95Nv47lW77eaKY9l/OevxLBSj7bZX4/eyCKP0ohHr56rHK/SSklPzlr3j8IatC75Hi6Pzj0hb7l/pQ/oU9Tv6XQp79viS8+GkPIv0OQjD7Of4i/gtXYv4mnIr8D+QzAO9Scv1+xzr/J9AfAuDp1P2XxVr98HgdA/W0zQJV3Tb1c74g/l92kvfouA0ChwyW//IU2wPCIub7qh6e/aZjRv5ASOb7V+EvArRNKwCFulL+2USK/gL9NQCk+9z7w86U+795pwCJTlz6XgtC//QXDP9IeB0BsYrO+ryZYQKqCkL5jpu4/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 426e11464a06469aa80cf6ff67f07ddd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Sp/mww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "avd7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wZEAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+tJbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7zjVPjANe7/Xhpq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "luGsP6R8SL7gRzG+JR+mPsv1qr9Ixm4+3Q2HvnmrnL+F9Je/DgEZP7S8kDuQU72/pnIxv9uDhr++eK0/kLJkv1IaCj7PxaK/MnzJv26QLT8shpm8xtKGP5eRmj7NjxrAiOcHv8uGA8AI0+m//dPUP3cxdT+J0D0/zREUQKULMb+69LW+57++P2rYB0AXDfM+RVNXPwWLEcA6JN8+3RK2v8wtpT4F2AzALWfsv58ZvL5LzGg/D4gHQOUrKT+fots/xRZ9v14vvT+UbOc+Cj4jwGvaiz8lA46+BahTvhn8/b4hPwtAmReHv2Q9/7/GKeM/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bab1630d4c9a35d5304d42ebcc3d7ab9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eir5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fHt3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lbaYPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Y+uhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0vuGvQzN9b2gFfi+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADAcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "/gXWPtwmWb45Avi7v/sBv30cSD9Zirm+ucq2PG+O4j9vMJm/7JpRvhN0oL9XEW8/r3qtP3HuYj6nHbk+Em2Iv1oycL9sOvc/5XKvPizKtD+RNwvAPcoSP0KFr78bLom/cQaIvd32FMAwDoK92lBHP1+IEMC2CpE/Xs9JPzNhOkBM8BS/lh1oP1V5OUBNuf0+PX+fv3Pl3r8h1xtANZ4av2VCUMDfMWa+xCwev19UR0DcSo6/0OzPP+ZrVUCETZC/wyu0v8YmTkBDOsG+2vRyvZkal7+vgfi/ZjlDvzh5a0CknAHA7WDLP2880L+u2rC/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 43195bff9fea419dd84967dc46a79679
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Fu4ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "twxYvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "p6/nPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rAJ1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xHyJvliQwj9/h46/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "gUiWP/gyB74y7d89pgCVPsX1ej/P5Fq9C4/qPhHVpL9z5QQ/USiJvbDZqL+NMeQ/wSLsP+HQRT5QK2k/3i6/vlVg9L0OwBRAQnVyvmofHMDhgxVAYOv3P8QD/b5Wr5K/2JU0vzyME8B8uk5A/rQjv0MQYj+3N4u/H7+gPxpeWr94rvW/x7Sdv8J32bx0AI6/zjRLv5mm8z/0eve/C5gfvhKcMUCGTOm/kOsdQCBmxD6so8K/KqbVvyp++T+DEUHAHj4ZwPlWnz8LeUDA/H2yvmy9ET8+L9E/aQ8qQJgOpL8P/Wq/5+4DwPI3N0CDgEzA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1bcdf2af95bce5f76038202d8fd50d3b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gc3uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vM17vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6wLePA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DceLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TI6fv41/k78Hzlk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "o/AGP6Z8z7vTEK28cmddvwFOB79DKrM+H3OLv6Acs78Pj5a+PWrnv86pAD/a48895xR7v2DMdr/n9+c/ANkuv65jDL7IqR1AhagmwGTnhT5hIxg/gACvvm7d6b831wFAKYFSP3WOQT/UijY/EWTXPokkIj/cxaq/9SQWwKT9nb81OghALcbJPzC7j79Ke9u8DgMlwB8rBsCwMOI/M50Ev6FIVz/3ZNK/vs+1P9VdsT+jue6/2i2mP7yz9L99hzu/VCzXP9JRyL8xvnc/PysjQDrmvD8SIba/P7kiQIf9Nr/PrqS+6eSLP/Sm9D8XNDLA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4ced8afbe68ad4b8fc379c7de351a2ac
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/zf5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2UCCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gdElvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ug1bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vRgqvhppUb99BWm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "vH9sP9SQI72IX/C8ONIwvuSlK79xbWa/i6TDv3Segb4z43y+p+aav5qpOb6rXqE/IbubPkxnwzwpdq8/7BP+v0seiz/DsUi/CpfDvQTJ4b8d31y/42quv5nB+j9cDPG+Fwg8wIYDnz/ggcC/9kSLPyNNgD/zJ62+MCQUwOoLeb/A2Pa+vEESQGRhPL+sghS9StHev3VWGz9St+Y/oU0KQL9i5b9PPn4+EOK6vxTNj789R+E/2blpP/nlQz46axlAR/vtvb6swb4zwfm/co89QDEMHL9sPKO/GxY7QFk7ir4M1Tc/8b0hQCnnlb9uTva/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7ff863edb921f36965666d029c3d86f7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "A0b3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "k45ivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bHwmPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1xaGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GqiMvMjShzx3Z90+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "/KliP5aqRT6nMfo+cbJJvgcxD75rQAy/WRlkvzZYmz8NADy+QnlTPkOsvz+B9WQ/JI6rPwJ9RL97h7c/d+ESQBnUNr4b/gc/JnUsQIE4Wb+mKWm+BQAzvnWTuT+ML/Y/l+Rjv7Exrr+R1Gm+5cCFP35mJ0BsLTQ/1Shjvzgu+D/1mX+/cXtAQJc8AD9n/n0/qyMQP70OWkD95nY/nn0ZPgoBKL6N8Mq/QHfzvw8MjT+DL1U+Fav8vlCp9b9p7QI/bIXiv7fu97/DYIy/tWgJwFrUrL9czArAR8UzwMx3978nLyvAVfIGwNgdO8A3K0K/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4448202b587e8f45d60cce47c2e9362a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9gfUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "j+RSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "S81ePQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8UuFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bt09PymzIT6etVs+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEgcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "opWzP+osKL6iz3C9jgXXOyxQar/0kcq+UnmpP8iPzr8CvsG+Hi6ZPzMtPj+LZaS/nge5PwEoE8Diqek+ByDjP1gU/r89HKa/pImTP5Y3BD+d5aI/1FSPvn60qT4bd6K/B0C0P6u35j91To+/FHTfP/6M1D4G7wrAc+HAvuhhKT9sop0/6XjYPzGeuz+mhqw/kMCLv2y7gz/Hhgq+1bd4v22yMb8KTkY/GiFgv/PrkT8w+wRAt1Bev8WAhj6ONwzALzmgvxHAwb/wz7c/xMi4P2JAub3M2ghA6q4FwFc5SDudmSQ+kvDBv8HtAECP6qq+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9f3500269fe239b81d1e01126cfef2c2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5OEFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qwSDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "j+ExvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8pBZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KqmDvm2o2L5qEwe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "r7s1P5lvDT7ygCo+EO+4vp3wgr+llcs9f8rYvjf9hT8rEKm+HAWivxHTBb6Qn1O/MYOlP+ClAD80LMM/Jy2Ovxh4tr5vnvG/v3oowOzi3b3W/QG/ukB9v3NIor93u6k/qgQ7v7U0DEBWBQK+EAL4v+qukL91AJc/qNjou7aE+r/qPLa+fEfnP1kvTb0zwWa/XAiuP1tYh749KvG/y9oXQK1yYT9t4X+/5Cs2wLu8ST922Fy+XSIHP4Aw4D6QJBNAzjsHQJeGMb7jbOM/NQwwQIpyhb9SKQy/OncTQHaH8r87VAG/QPzWPyFBwz9ozL8/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4e734bcee6fa8c03d28087367ad35d07
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7KfJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qIt0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mIbhvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1VpYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MC9APB/Xhr1Q32K/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "dDnMP/dNjT6yvoa+gz4KPzAYKr/0vZk+xntIv1ZybLyRPRW+OK0VP2HKGr/ab7I/+3rbvn9MwD+eZ5G+rWWBP2SOzD8+4BC/l835v+Txdb7MFUc/PkXzv7eCVL99Oeo/kZG6P+Y5PD8ZsNW/97Y2P3VOhz7YrRPA1z2Bv5x3AEBbvIe/+OmLv46fyr51XpC/TlU6wJOSTT7RG9k+ds4wPzdfCMA7jNa9Ku4UQOfEjT9e6wzAHdQfP38iEMAWdJi/otwkQHacjj4MK1I+Zzgcv7dtAUA7lSk/QSTUP9PqIcCHfF0+56C4vQ9SL8CNBbg+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a96ffe58118286129fbf3f440df410f9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Xwq3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wY9qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jZmkPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RG6evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DM1Vvs07nr4YCQU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "F6rfPZx0uTwsGzo9NFlPv/DvLj9K/ne/fOuivsvIcr8pZJc/p0hRv9BcnD7zlfo/LyQQP0jxND+/Tq4/XJKJP3lehb5kU5C/DGCKPziPML8rG+g/vltUvzwM9L8jo4k/ELFDPh729z77JAbAZlT5Pzrmi78DYKQ/jXnZv6GTUD/P3sc/hImJP+xT1T+haro/WFOrv53Azz9AKFe//jGVP/u6Wb8pBjlAtP+Lv6KEb76K5QXALEqfP0kpp7/SMrS/0a6Mv9ycp7+USPa/TSnjvzL82z3tYTfAF1VevwfJXD5S70JAJIMCQLVlej7x7oS/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b2f307d32b41f859036c1d7ab27af758
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/gPUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "961mvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6+OhvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "enFSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8wKAPxfZDj4B++g9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFgcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "NuPKPu8EPjvFKNA9VRYqvxSZG79nDXs/KjufvlgCB79ldgFApk/1vwqXgT6GH2k/+GDev0VHqz9I1Io/RIUNPxZlgzrmarW/jhjRP26KHb9Hqwm/vx8XQBQ5Qj8+0PC+O4P+PwKF0b8eogC/gZR1v3GcBMCZhSc/kKlBwPzSI74h6y4/ROejv6umC8BnEMW+4Nt9vXih7b7vSwvA6a6QPwQasT+Xkik+0BmkP5zZrz/Dc6y/ZbirP8IhDUCFWQLAt2+WvSg2LMCXlFA/dkiHP9IKDkAgYVk/QshZQHLfgz+4r7m+JGziv/CWHMAER6Q/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4c624bd1d8069fd047fa7535fe7314f3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "j/ybww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UOBNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Xi6iPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wHuPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8x+SPYHPDz3LZ3m9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "bl+KP1dpl7z/1Bq+GKJlvZcrhj/tTBO+t4pJPq/Xc7/UbXm/7BBEPx64tL9wzq8+JYbRP0P7AcC+DAQ+is5xvxnExD33um2/MZwGQJ5ijj4yere+UsWsvwFFET/G1+U+Qw/mPvUgur+TV/O/dbnGv0zLoT7nHua/g0KGPhaKH0CqTMq+W/m0v4kRpb1hpKc/GcN6PXt48r9ASM4//PvbPSxWlL9a0BpAqLF8v5hKCcAI3bc/yK0IwGvEqD96Fdg+UfEMPyZUM8AUAv0/12JwP58HJ0A/5p+/f54/PzfEPEB3mvM+vGIlv28rREDcUhu/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 412cd725e527785de369817000c96c0c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yq7kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "44pbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qfoVvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OQw2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Gt2Zv/fpKD9Ra9q9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGAcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "/bUwP2qSJD10ZNu9cU7tvqDi/j3+vW8/ISqTv5h1eL8y7oQ+3hAcvo3fhL8+IFW/IeUkwDRZgr9q6lA9I6oAv0x0Q7+S8+q/z8Ujv4YuzD+G6P4+ZsI+wOoCS747MBG/mtm2PhtTAMCcu2K/z84NP1vbwT9ql+i+VUefvl9IKrvKwgBAhGZFwJZLfL9ql4I/6fA1wHuX+7+b+tq+lOhNvweI4z9tFnS/KYY8v0r8GkAlF5k/zwKpv2bqhT+3+8e/DtwFQFYZmL5EXJc+PdEtQNptFj8gDAs/gEYhQB5Btr/m1Lw+Z8BpvwYfM0AzJKe/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d714ea4ada0559323dd15247bca81318
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cRC3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pzxqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3baPPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CwyZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zO5pvsoaDb/Y9Yu9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "kOhEPwC3+L4IbWQ8GD3KvswePb+5O38/qVaTPQgugL4WG7G/87aRP7imhD8LyeY724DMv5fy170O+9U+/pGWv+UA6D7Lg2y/8dbcvqqJ1r/kuMU/Hh96v1FB9D4HW9A/DHtUPk2wUL/FGxPAAav3PZ2ynj+Zoo6/+STCv4slSj4gfRxA+JDzP/Ndvr9d6Oo9NwQRPmEwA0AC9eq/sz35vzCsLj/hYNO/I6fEP7XlIMDNI/M67oMlwA5aDL/mAv8+QNQZQCBPtb/xC4s/R9kpQGJSqL9zZCm/9wmDPzSXyz8vGHA/Hp8JQKhMlT+SIce+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 90d66683d5d73fdcad8f3a705ca3aafd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iCj5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Os9ovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Hv5aPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YcePvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oBWIPnu9ez5BZTy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "saz8Prh5/j2GBi89nekxv7ARZr+SuiI+uuwDvy//mj/xVoe+1hvVv7emGj4LAxG+NQjPv8y53742bJU/trcmwGesFz4yxC6/UR+ZPh+IpT/3uH4/G7Eev2/+FsDUAQu+8CVkvtsjIsBo8pG/nUPpvr/fB0CDraa/ITZUv3lMPUDuTn+/dUoXvpYQkz8aKPw/JGONP8JDAUCT0HE/UYTkP57dQL7c0CG/JvA5Pf/ZNsBcfhM/8YTOv3G6M8CaoY69RIvMP6arOb8Gpsm/ttoSQBJAQD/q4WS/8rUkQH1RfL+9lH8+nwZXQKzaor+TK2e+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ee0fcdb3b368e62c2f0bddb7204f76fd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XajJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dO07vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HqM8PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PBZrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "R3L5vAX6RD7SUok/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHAcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "uoSMP3ScjLuILI0+4PdBPakFCj8MTjO/C4eSPqNjY7+idKA/n1edvxv37T58K2o92SSOv8mLpb6WqpE/SxMHPgAgdT5fpQvA/A0GwNslPr/RugFAU/wIwH8/dD94f4m+FvnivzDlYL9Edj5A9K7GPtZm0T87Ita/sOm0Py0d/z8M8de/QE7BPxFjWT8HpVU/acygPnym978Rs2w/J1w8wFV/Rr6bfgBAsFwtPwpzW7+s0xFAj/S1vljcGUBpJ+6/N3J7P/ynrL4imiHALEFMv+yFMz1JIi3AcfIIQIeWLb8OLtK+A584QB2CR79xW0E+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b4301cef063de9d8efe9d03d7ba7f6b5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HKbJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7WRgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tVCyvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1hpKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "f7z3vg6EZL990DO9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "Y6iTP0QT9z0BEXe7wqccvq8QFb9UzQg/NwQIP6AEvD+Ct6g+aWdPv9L2VD/NtTw/6ic1P03gxL4klrS/SvMKQCSd0r2uyKA+HtKtvo3mmr83hUm/as3Uv5gfij/o4Ms92h9LvuOCw7/+RNs/eBqKv8jehz8K2uI/9qNyPyD3JUCfK7I+lCWtPgM/1D6akwTA0AoJPkL4g79+VShAK5m6P1cndr+Q9fq/H1XSvyd7p79OYbO/D5YHwIWAqr6gNs6/bRoUwNjm8L+JOEG/ocnHv2hS7L/EfBbAUNjgPldWGcAE5MM/lRmcv8CM8b8QCfE/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 25e7a166f87e296fd6c26d4f516ba103
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Zzfcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ERhrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mUq/vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vi5Tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bXPzPp8fLj9wXx+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHgcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "WNGZvZeT3zzSL4a9VxqDv9WExT7QJYy/l34vv2sBA7ygc60/BpMhP4hDqL/fyb6+CbHtvSqj/78tw0u/5qfTv8HmjD+O9j+/jRWAP+NO4b/tOA4/dwH5vgUeRD/gQxnA+o50P0VtiT9+JAU/xp/jvz10kb7hnOE/bx4JP+buLz/V8vs/GWHjP+UImb+yz5m/kUwkvnEE971a8DzAy1wrP+s+BkBNDIo+j5qcPtBKvj+lNCtAnoGcP0J0arzLwBxAIGv/P1WMZz/w7no+IUi/P86Icr9+hgXAfTO3PsygvD/hjxbA/eujv/HAnD/xRD/A", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: abeb2b8d8849ef1bbec2020175edf543
username: gastegger
key_value_pairs: {}
data:
  {"energy": "w6Tmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "f/pfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "a0WbvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0pFMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jL4qv0UqJD/5g4E+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "3fkaPiyqqr2xv4g9hy5Zv9d8kb+hUra+XOCMvmiCaz/yUXo/OabOP2uevr4eNYI95zMEQPl+m7+W2i+/MLIeQC2t2z6DR4E/Nxotv+Extz3bO52/6Mudv3y81T+M864+UUkZQIuQvz8CzEg/1By/v+/upD9qemm/leHSv/kGHkANYXA/Sjunvk/G/78iQ0O/AToLwIFm4z+qn8u/fK9VvrJ+BL0CwwzAgY4IQNEDnD4jmgJAo18FwNyUub+1+eY+5/hgQGEL1T2CDmo/IffpvzpIAsBBXqs/iGwmwPnnC78ki0c/p0UywLl6AsBseRe+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b063fc6057cf3573574f2da0086941c2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hjH5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "sOSKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Un+9uw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "s+6Hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OiMKPu+sBb+WsqC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "cMTiPk0/lj3AxKe+WQiTvlWxoD6bIWE/FxSyv1/Riz89E0o/8gg3vo9BF780S8K//8hcP/UUqb/5KiG/6ddPvlcnFcDCzkS+vJmfvzUNzr9L5Iy/j9nzPwtGxb97RVO/trSMvQefL76sxyDANgkJwLztmr+TMh2/MgrIv23mDsB9Ifi/lbzQv58AsD98x4C+cJcBwNWRtT9Yyd8/hoDUvnmUFsB3+2A/zDy7PxE3lT/O9hC/BiFJPGH9VcDKogi/1t1wP2dGCEBmEC+/Tsn/P6rodz/i5b+/vfobQFVpnT/Yxug+4sf8P/ViqD/+8qU/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bc5fabc9e97870d56d858ff165539e39
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OG0TxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WkqGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "raK/vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XqB0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZY0iv/M8OD52N78+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "XM5lPu4HNz6L4VK9+famvogiiL9Eppc+Q3RAv16qsj+QoMy9SPhGvyQbmb9gONQ/bD8Zv7nvvT9+lL6/ezZ7Pu9puD4ar8y/ZHG1v1k+sb69iPU/k8bGP2Z75j6dBCg/dfOtPbTAmL9UmBVAt5usP+Y4LD8ih9s/FRuzvx8UAkD6VS4/NE14vzA1CEBcTQvAibI7P13CNr4B1CLADOsBQJxAqz+TxGg+HVTEv4JtIMBsyuA/P28ZwPI/IMCdI4s/CeEbQColI79kvQI/YtZjv+Y3VsB4BL4/UG7xv0YdKsDf7DFA6ijzPybzt788SuA+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2e9b8ab5e91e5d0ef663898eb36c6ecf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qJzmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "O25ovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8UU7PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3J+Lvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ufyHvsXmg76zmOi+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "uRH3PgLbHDnPkwc+uIpJv0L/Xr9Fjnk+juYePTz2sj9m0Kq+JGZKP01zBT+IOaO/kdjqPw0lRT99Frq/glTVPedAwjzHiBjAYCPJP8nXRL6iUoQ/UWwhQLf2qb7wC+E/71pWQN+O677KaRpAPkgLP4PUR79zbyvAXQ1gv/t0v7/X8ie/vyO+v3HOsz/25+S+qyD6vzK9Dj72Zpo+kJ/lvxIysT90cL+/sa0LP7aWEUBcwVE9ZUwxv8Ak2L9XwrI/Uj/zv2vpE0BgbrW6juQGwA9dvT5mQa4//+I4wAe9ir65u7292vu0v+G/FMCRVa8/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2a54f32d3bf71ab9f3d86feb0b464844
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mTb5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PpVzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UdkwPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "06J+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hPWvPjfDjb4ktOU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJAcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "hQ+tPnDQlj5Fo9M9GfZPv8077j1311K/DMr4vw5kXb554j2+/DE5v4kkgj5zhwHA7Wu2Pbmg3j3qwrs/uWtFwOZbz76qG4S/nPqoP4YDcb4fBwdAwF0PQMqHWL8KroM/9fa5P4WZnj9LdZu+RBbjP4nqKT/s7iJA8G6LP/+SbL8KPztAEazaP7Creb4Ds4S+rObrP0TgRL/zJpm/0qtSQBGKHb+pP5w/ePCtP/361z/oc6S/UcIIQEuS979Non0/IVJUwG+CAz8jr8m/+pnuP1KE8D+COfA+zao5wBbcmb9Uz+C/atV5wHRhLL/yfbu+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3ef5b7d721dea52d19ddccde9699c114
username: gastegger
key_value_pairs: {}
data:
  {"energy": "A9jiww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OgI4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0NOAvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wOcnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5j9Ev+l9Az6qKz8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "0d0PPsikoTxrNLM9hF2PvybVTj+xANU7+osHwJFImj46fU4/WDOXPnvbhL8Mm1Y/ZS77v5JMU7/aE80/4mdFvzrRur/rM8w/d3I0wEJjkL+o6QtATSEdv5zjFcAlCw1AauyVvyzR6z/stkK/BxcFwHmLE0CspDy/rBBAwIWlST/JJU8/6FeQP08vAD+XwjK/ocZfP+Tzqj/FC5u/1g4dQD5Nkb2Lnk6/eiwcQIhMgb8k2YC+iOg2QBqcmb4N2xDASOtLQMjAFT/W7aG+AC8LQBG7f796MDDAVj02QGYEIz9WIjXAl7p3QFm0Nb9qYBTA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 36770f942a45e4c1622867e4dd3834ef
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xjXcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mnuAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BfrEPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OsuMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "j8J1vkDZ1L18RLw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJgcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "B/qVP//fZT6GuCg/LCB3Pru1R78FW4o/SdhKPZud6r8eNYM+jOwZPzizlj+10DS+VzUnP+y0AMARhFW/E/oyv+l2IMBiVDA/79aEvnsgBUBdp+4+bx2xPkNOTcDnSsu/wU3RvrShdsDBa46/vITdvyoS5D/sOAw/SCiav6XjNECN1tS+5hXDP9y7Kz+uTcw/crKXvxASJEBgwru/ITCxv/kEeEBMXVi+4uKCvIOaO8CXYCXAFBWhP2rscsAA3t2/8OYDwA5rVz8kBQA+nqIRwEudBkBpzbY//bL9P43Bdr4AQ8o9XltSPgP5JkDNJ6Y/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c1f0ea4a7e2563c4530f715bc300eee6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "guwGxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PUZ5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "e/SGPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZhKFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "T8xavkdasr9a8CI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "P41fP2Veo77DUb6+X10Zv2AVkb3JflC/u7qbPoTBwr9KrNg+dVqBvwbBmL+aVBW+BDovP5qKIMCFZxE+y0nAPuQZsb+ItsA/QKSXv9l4Qj+Uo7u/rikUwIdv5r93ARw7Su27P2t9Jz/2dOE+OC0RwG0ONsDjBKq+p7HrPzy75z/atoS+n3d3P63MG0B7wPi+MGI+wAr3ob9Zyy+/v7o2wEge3b9jW7c/oDXDPzkpGr+/95q/v9cMwNFOEMAVfQhAv2U8wDNuML8FhOE/WP11wNFLDMA6N74/6WEXQGK2xT9NoZi/Su0rQH0UIEDdcgs/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4a143c14552209622e524d02d8164a0b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G6Pmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RIl2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fHsXvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZapQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6UgOvnoZLb97a5Q/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "lvu0PlEAXj6rdoC9q/Bfv33YND5ziXi/WGrvvbL0zTxxCqw/hunRv8aL2bwaVqo/02wIwC3AID6HqcC9c+FYv7w7or/219A/deUMwIDp3T7snghAfsYowCuMjz+h5mG+kWpQvwW+A8A6GWM/ixqmP3/7oD/5gLO+OvFVvwYQ0L+z4ylAfJrXPzjXxb1MQRy/O+I0wGYlHb/Ql+G+RKtXv3PKNT4GMgvA3Y7YPqHlBT/65AhASgfbP7DRqb6Hada/7MIyQP2xLL9gF2g+nDQrQL/z0r6oy6M/6X8zQA714b8sOgw+eM9wQM/Gmb7fHey9", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 330d3d7a565a2dd48c34ca497c5dc5ed
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qCv5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8IuDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UrczPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2gKavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9+kIPw+ck78JFi+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "LSr2Pv1BOz6eMds85zN6vzqllL4utok+8HOQPlzVO750YLu/akmUv+VmJL8SLZe/9zX3vwhLzD5ewYY/SfRgv+TvEj9etwHA02iNv0BMyD8IxdK/FOnFvy5+a7/mCrs/0ZN4v1Yxeb99mBhAotsTwJQY2L9anaw/gVbXv/sowb+2Kci/B7MzP2N4xD/cNak+OrPUP4B+0z9GTLk+wsHDP2V2Lr+AZTk/tXGzPwbA3r9jwe0+AHW2P+bzEr/1TOc/YjCCP3RKLL91+wXATO41QPqGW74MKdc+RuiGvxPF4z7guEXAe5ZCQKdL377A/P2+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ec749732144be63e8cfe8df8a004d9a4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DjH5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TtV9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1LfMvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VD5kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BhLEvoYgqz+XHD8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "svw2P8zLKT6h3K09PK34vkorKD8QBmw/JwKavir+Pb9rRSm/Y8G8v+a3cL5Xn8I9rCrDv0ZGpD9hPYU9qdAWwGMpSL9Clc4+bhb1vUj32L8Q0LC/1kSgv9Bi6D+pali/CDErwIem4T8vGDI//Tj/vkcHRj8K1v8/XQofwLkIKUAOfoU/HBzRP5qTSb9eDmE/tYGCPziBuL/fZsI/nlDEPwQDlz/cKzW/zlprP1hW5T+cqa+/6qIRQLTJJz+OIqi/3FQEQMAG7T/nmN68ny0SQDn0Tr59AMU/YpEeQMAixL9Za/Y8ik30P2NF/r9smBu/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 71986393bc68b9d46d70aa1b79eb9f03
username: gastegger
key_value_pairs: {}
data:
  {"energy": "W5/Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yLZcvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WvCCPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ehePvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yJj7vTKP/D1UjPM8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALgcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "xssqPz8fJT5/AEg9y/Ejv7chIr9I3bO9XlOxvADlvz+9hR8+8wp7P0hpRr/EnZo/WEKtv/cgMD9ZKcE+rCuIvp90xL87BoU/XsaTPu6zCUBcnHs/JznWv7XHIz9ZrbU/c3OQvwQeor/iF6+/g5AHvqhxIMAI1UQ/u1TbPDYgDEAGtYq/FDYUv4TyO0AZFoS/QEb2P3NGIL/CWqE8wwYDQMQKtb80Wji/l/g1QO0j172EYIo+Qaeev8OXAb+hUgnA42SqP/TAA7/Q5wxAhZ4LwBWtgj8AKIK+IDnbvtatAcCFkd2/83wGwJ3c37+Jypu/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5fe7fda78e14610bb0db73e57d083dfb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7Tfcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lbZovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BRTqvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FHRLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3NfBPY5AXD79E/y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "ham0PkWIt76lPwY8Rvwnv15rPb8rz2y/P0TFv71T4r/jfQG/lySovjS18D7EAJE/r0pxPzTUfj9VBQO/Hb5Rvz6EMD5t+wtAm7qmP7ZMvb+rQsI+MwWFv7p4L8Btb+i+fbeWvVCJ5D+sWsk+gaZ2v9IrBkB0ISi+c6V9P5aRkT+7M/m/KRJLPyn5EMCoQHE/4fz+v7pMxr+vR/A+5wIVwPMf6b+aSqG/sKfAPdRbYT8sLBbA3eHeP2fZ9L/5Hga/quD5P00ujz8ORNq9vgsHQJ1NjL+AJYE/mk6YPxojBkBQjw3AUNiUPrv8J0CAOn0/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4ffc6a38d7ce6d9dc937ad9fc4ac511f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KeEFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LVt7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CcYBvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "q+lavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MjiqvsjNcL5yM6g/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "GDuTP/w6FT7OK1k99XC0vYMFSz/ugTc/UxSvPnNWlr8XlIi91bp1v+n/tr4jlRY+pCEGPXYgMj/fDuc/Mx2wv7Lgar0FgFG/FFm7P1B8TD8cEaW/qtQSQKAdRT5gYmE/+fQ+QNKctr6o1fo+/deBPy7V4z6waBbAifyrviHkB0Bw26k+FAqHv3KjHkBhx1w/3/0CwN3la7/yM4Q/iPULQBqb0T8Cx5m/8dvOvyw3m79ZVQBAcm4zwEsZE75vsZ0/pj4QP2Rm67+MikU/ZronwNJ3AsBylL4+fT5SwMJwG8ANrnI/CubfPhiE2r/dh4G/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 41ce0bf6e0b4aac649fce27faaffeac7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/eEFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5gOCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Gvk8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hslUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PE7xPjP5Rr4yILs9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "K7VjPozK37kB312+Xb0Hv/u/NT7cocW/Ma0Wvyt01z56b2A/x3O+v1fisL5Y58C/giKnPX+gg77xLhbAXl9Av4XX0D/ervG/QJqVP5sVDj8XYWq+sccLP01kvL/MSpM9t4xAPhJxDkCE1/6/XmGDvmrI1j+Yv7g/NrJGP+PM1z+0HOg/lXwdvweTDsBjL6w+BSWTv+Jv2b9413E/2/KDP4TP9r9KQ02/iOPpv1h6CUDVQQPAP5vEP/IFy7/HRp4/aiavP3w/H8Btw+4/ppEaQJhVS78jY7s/XG3HvuPIH0CNfTk/K6Fwv4896z8j2hFA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 30ba4c197aaa35940e35cbdfb0fee657
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Bqrkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yTxSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aQJFPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sr6Bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PgUAv0RuVj9S1XS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "M71RP48hE73jEmw+tIW+vh8hzT4wIZA/y+JZPlbCuL/fRzo+lPt4v2uwe7/eTYk/8YhFvzDJzL8Ur2+/eoHXv+KlGr812Wq+qGGLv7BhVz9+Bj++7VeTPnIIZj8uVGO/G90RQAV1Hb20dhY/5oWivrCzcj+sNARA/Zbiv2Lm1z8SzJK+b4+3PlWRDz8iA/e/dRLQvtd3tb+cdPm/JG+WvxBSJ8BL/mC/aTocQJcsGb/clcE/KVYxwJYbM7/IqIy+cjFrP7kDCkDfpji/3pMpQIVIez+QwTU/8NDZPiYENECxyZy/6uw2QM2mBr8wFlG+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8cba973f7681b5872d79a11878ec49b2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GbXkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QZx3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xmzJPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7WSIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WruRP6bVQD/IXqu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "EtNLP289Ur5sC9y+d+UEviFZWj8GPHY+YTw5v1Q4iz8IQ5i/1ovcvSTrhL48WtS/p2xSvsE1+D+HI9O/FDEHwEgyoD93qJm/TpTDPw4Wp78d1ww+NmYawIv7qD/NMwfACPIRQGzFJr5lH8G+3piLvyYgmj7FvJc/H+kuQMNgBD8GebA+TiHCP4KSwb+HYco/5Mk3QNy3rr5zx6K/sSvEP9nrE7/2aApA3XYfP5iwBMCQQO4/62QZQMtvBsCyP+0/xAzqv8DdEb7djfo/9+q2PqrW2z/WQjI/6ftXv2hAiL//f8m/bNO7PmStlb7HCSnA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 80d75b1d54949c072831e04ddf3a09c8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qTTcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hCxrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BOZhPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AtORvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UN+CvssQxzznxiy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "e7dsP4H1Pz6hvFs+XoPQvlHQrT5+tIc/moogPqUOIj8PVoi/x+eUvx38OD/s+3S+WRqavlzClT9g8+E/uNEJv5td775RP/K/gkfLPym0lr/D+HU+r+5pvzQ4Rr8QwN0/YKLSv0H2Br/6r2S/CeokwASz8r4WtaS/qrNhP0xc/b8Pj3Y8EiStv6GIpb86g4Q/APDtPxBZnD/WkgE/jQDtv4XoyD8GSXO+sCk0vO8htb+hiALAa5UPQDDThD//ha8/CQn+Pz9WsL8R8Z4/yjAdP3PSuz8h2Mu/EnsaQC+Lm79p3vO+Qddbv6SZwL0ayjfA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8af133c92bf6898d393a3d26b332ea37
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UtLiww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Iqdvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wy6Kuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rFVrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "M9wgvkqYab0ldQo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOAcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "JPlyP/mQVz0eY9Y9sumRu3RgjD8/zhC+5mMDPyb9jL8LSQ2/EIyNv37d7T7H+Ge/rnY0v8wKc7/eEZm/QrIBQLmdzT0HlEI/MPGpv1sKYj+Y9wE/MLOvvwFp4L9o3PW/B1vGv7Fsgz+bJ9y/ftRmvxbTKcBbdgHA8pQaQJf/qz8g/rI/VIjFv0jvdL3LItU/ooOGP64L+r/ncga/XVjnP9YnDUD7wow/nIoWQIzdnT85MB9AtrmHvwN1g7+e48I/d3vsv6996j8nSx4/7pKUv5hKwz5lxyVAkLpdQFBwxj9w+5Q/9mInwGXfbb5JzeU/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7ca49d5f0201f4cf10f668e5840811ce
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LqTJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NlZyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RPiXPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LCmfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cLFCPncVWr92/cI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "8YJsPwCRq73xpi4+jx0Lvve1i75xu58/Iwx8PtW0uL52nJG/U8a7v+sVN7xK4vo+CW+9vQiapL+PJNQ/1uCbv/n+k776SHO/klcXv/Qly7+095q/8JDcP5npjT+PymA+OQkFv8ENFMD8C8++QNr3v1S9tz//5x8/vkeTvw0nCEDd4Zw+APlSv1QSAcDZhQvA6poXQG88Ir6LLMc+34gQwNR5L7+GT1U/PzwrP+Xtuz2z2wHA9zoMwFf91D9S/dQ/u0cwQKqgt77cprE/DqFBQFNH7L5N49m+c2zMPNFR2T5NmARArkU0wEEHzj8sMf06", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6940afa5c53ddc87e258b006ca451d4b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "K6Tmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eAx/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tvP9vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AU5fvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QX0TvwEwLr96/J6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "a19BPzkS970xWkG9ZXEWv6JlED/1dO++14EkP/5jBD/gALG/icXFvzpxDr/JLCu/9cyCvwYb7j+kUq89kgp6vxIn4L+Vpfe+R3AkwCOByL7VS3y/tWwKP4Euyb2YVRHAid+jvlYENkCAdD8+IRoFwM4L8T/16Nw+sPLlPq1d0b/uymM7oFqTP+YoC8B9wCS/VZe5v7mzLcBZKCK/o+YgPzXaDcAgAaU/9tmTPwJwuz9tQsK/qELWP8wp7z6G1n4/nnX3va//+b+o8+o/D4iwP0O2KD5FKgBAqk3WP45Mxz9Th3A/ipQsQHD/4j3flFU/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f35795662e4e43d15780678f7360c010
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ezH5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uYx7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eeX6vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CjBcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vVKWvFkXhz4p7Q2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "dNluP41ue7zWgY89JBiavjeEwL3nK4I/RUSgv8SDsD2rZki+M9JQvL8fnT7mEZK/vBvQv4SQmr+V5Hm/c+XHvheRhb8MwsY/KMLZvoE5c7+SKvS/eS3EvkBfhj/rxQFAPdOIO855wL9uUzjAeBi+vuIAAUDRFcA/oE+rv5afez8UzCNATTK9P3yRdb98IDO9/17pP6f1gj+iQeE+ewADwCQyUz+FA769g0UmQNa1fT9FwwS+dA8jPwGTez8RNkBA2KBgPruqmz9YI9m/Nlq7P2nUjz+frCFAF0bNv52iCcBDKNi+StwkwDJLk78hDsK/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7c889c126f846e97e7edcfe6e16dbef1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dZrmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nUl7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QSwbPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VwqRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GHgGPznRLr5O0Rk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "13SKP50tej6cdxw+oN2bvXcEfj8MCGU/y86Vv4GHXD/897W8hsVVvoVBf75mveY/VtroPRrsd78uOuk+zzimO1knAUATuJ8/o9+Pv51xD790l7S+rg0YP9vfrL4/GiJALigCwMlvhL+T2RI9ORuNv5BWOr8Ur+6//q2Xv4uq2r7DfxBAN5TnPtQWAMDKcMw++1kZvivEvr5zKhLAM0CZPw0MBz9xVWW/BYEXQL8OVj75T08/GMpcQPSsTj6Szqo/jQGNQOpCRj6bIOY/g0aZvygj5b+cTQfAMfQMwNNmiL3iVR3AvjsMwGOMVj/H1wfA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b8d7eaca045ee28ec3028becdef58e9d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JKLmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RBlqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JsedPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KdJ9vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RKgCP1zmFL7qyke+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "hJluP0lgi720i/g93zAhPt+5oD8JWmw+qTKAvxjDjz9OnTa/gNiev4CPmj8MqUc/cYljPr9GVb9M2oS/PjpdPzpFHEDJnds+mZuzP7H/JkCSorS+luyCv3+9Hr5J6qS/Ftypvz2u9j+83a6/ERIivZj0EMDuBwe/1/eZPktTDMBd33A/1lNXP48Mg79UXaQ/+3FPP1X7U7+9S/u/KEMFPsBaQcDyS88/ylGWP7fQQL+l4xFAx7j8P+VhNT6G7O29Z0WKv00PI8ACZDe/1PPIv4y/nz7syKU/VmbQvzlkCUDqZ5Q/iNIWPyDnP8B3C4a/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6fefd9c58f4a1f101b09d6a24c5c20e6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "X6XJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xjJtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zc4iPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "s193vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ho/YvsUgAL++vKA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APwcRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "PiIjPjJS7r0zbjg+Uvynv6RmDb2EAx0/1z66v8buwr8uAiE+re7SPTVQ0r+yZgI+GIkHwEdM2L92Ppq/EXBdPwHEZj/xix+/lcP4v9QWND93huU9drS1v9tSqD1FI9k/wYKoP8c1Nz/REyI/beh3Px4Iyz9CZM2/ZdDSv36dhb9IHPq/T2sCwJxHLsD9UMe/aIxLwN0yt7+inpS/gyH4v3DICsC652Q/mmMCPzE+BsAhjYQ/9Vi9P0gnzT+9peI/6IkMP0szCMAKcD6/2/sJP2+KBkBiRAJA4wnrP1f3hD8prChAmRgOQNRNF0DoY8I/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6e81341a4e0ba773a5e6ced56d1a2848
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6iPBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "f9p4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Sb2HPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "klyevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WFbaPtobPD6fcZE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "uRuCPkO1Bz+g8YK+bykwv/cK2D/o8Qe9Qg5evtg7Sb++1ly/IhDMv4eNrT+ZWfY+SEKiP+3ETz/n+wi/QmuSv+aMEkDH4J6/0/UwPowEPL9sthM/jq0gv5csSL937Kg/i/PSv/LLgb85Faa/MfAHPxg8ob9fF7+/HpirP/Qxsr+qanM/Rvb2P6GvWr/6iAdAxb0MQL9CUD4QMf4/czO+vgC/IUAD3uG/hdigPx4Lb7/X/j5ATVw1QG00t7+uahRAlntVvrbTG0BqUx4/kTEXwBw3Ir+kMhC/v3LtvyDGAb+cmg/ANFnsv1dJBcD4mba/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 74565247d5db3a963e430bd0c80fd676
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PKDJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KT9Zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DW/WOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ofJfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "O3Cuvi1ggr7e5Sq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "g4eVP5P/Pz56YMa7yzNmPsVStT8jPay93BkSv3cHRj8OgIo/7F+5PmB03r63XI0/w53dv1vn873aXDU/iW2rvrphwj+vJ4K/9+EwPz36F0Dc3xk+QHApv65irj+S6P8/Uw9JvzxVp79dcys/AlIrv69E578OFJi+ZER+v+sPBcDymLU/qvCzP6QjH7+8IqK/VfpBwJHAdz2R0wc/jqLuPsmYSb+yE+i/zQVswCyoQr9vn4U+7+QJQDcZ6D7DRcY+enRfwJSahD/kMiY//WboP7vazb9x536/12kUQK97AT7JrgPAO28bQEpBpL6NtDnA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 13aa2d8f9371a8351b864c8195408157
username: gastegger
key_value_pairs: {}
data:
  {"energy": "R2T1ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WB8/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wkwbPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iPJlvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Bwh2v5Yhzr4c6+K+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAgdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "paM0P/kIir4gIdo9dcNGvjPlrL+fU8A9s3u2v4DqSr8e/YM+m7C3vwsu+D6J0cc+kEKZveSnUj+CjsI+m6+qPlfYDEA4gFY+ldSxP+xaD0Djw/g+svcewF9l1L+jHq4+SMUZwDEZHsBpxYO+19z5P5umpb6IFqm9iZ//Pb8zLkD6YZu/cRttvlUiM0Ct820/mUtYwKh6mb+T4oc+oN8kQCyMzr8Cvp++Wb85P9Z7CUDKVPa/FAYPQL7wGMDv5sU+bqYYQCDZ/b//J6q/DB9qQIhRwb+oPU2+wVJtvylGKUAlIcC/+vTYPk5ocUBCCaS/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 96b3d799a6ea55f69be9632ac41cf2b0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ybLHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+OBFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TbyDPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "j9+Dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LSYOPwAAAD8NcSw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAwdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "M09pPwhfeb2WDx0+PVGcvtdYTz/JGnm+LPZkv7yamb5mBIK/uiqOPrIWlr/rUzu/fJDrPgERQT3mbdI/MZg0v/suZj+bD6E/wvMPQKuRsD6hmFC+6dVpvz93976j+d8/D8Ysvk0n4j81WEG/udWUv95R3j/i2OI/xjMZPBcBB8ALknK+JhEgQPXSmT8cRJE+oVydv7pMbr0aqRnA//46QNbMt75MKcA9kGdmP31fr78/ms6/82LDvrG+nD6tx0DAKiUCwNeuLj+Rgx3A0vKYvwpR077yjy5A9o3Mv41ue78d6TbAiMiOPxhOxT1OeiBA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ed5df4c5f3b488ac2430d18c0cfbdc08
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YqDJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "StNgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AoOEPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZoqRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XD0nPuqyGLwyVYA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABAdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "JKk+PwYjI7zqwAS9l7Iev1l6v715Oik/IHyJvwd4kj/SKOa9U2yIPpxNnz8yska//ruvvw7ZpL8HWkc/icdTPzRvTb8E562/j5J9vzRzGb+nj/0/pnz9P/AiwT0jEVQ/XpCgPiVI9D58NATAhYYovxAMxz608iPAxdaAvo0pjr/xHyZAQzWCP/YfbT8vXzHARIr0v6xneD+RKky//wbsPw2EVD/fLNA/dSSmv0FfAUCqeQA/nHcNQEmqX7+84qQ/dPo1QJGkyz4EJ2o+nzrnv5dhBb5P3CFABfM2PnTw1r8U7bO/e7zrP53bjL+z19C/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 46e1562ecc5320f68a65579fc03884fa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UDvcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PSpOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZCMQPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FjNyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AYe0vy+L2b6A1Aa+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "K4U9P8O/KjzWosW9Yywav8fUND8T7yC+KcYiP9YdWL9HWJg//0qBP24zWr9PW6u/TMtbv+mEYb/Y1sk/ECucP6Jxq75ivvo/FCiIPzvc678O94c//IK7v84Daz5EqkA/uEBdPvXuzL+fyru/mBEwwODuJz88EoU/fshOv4DewT/s9lm/cSnrP2eXaj+yzjE9Erapv/vg679Ss6k//5gDQO4qmz9rnFm/3myDv32ZOb+afilAHVdNwHtvmT90zaQ+xD9XwL+qLr2il7c/Q5r7P5KOr78UlZu/aXuUP+RyN72ERyDAMTmXPiMIpT449y3A", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5ffb2d67465bdf0017c40112d4c580e4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0DPcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LGZkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Zfx7PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "o7KRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Spi5vufjyr4O88U+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACAdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "AcYvP1bTUb5PyLG9wtz+vtZIir+tj+g+j31pPuSEaj//Flk/npnQPyfcIr+O84g+PUVmv3kKCT3R77U/w+2YvwwRpj9kpCM/+5KJP7MX6D9zVLw/rydOP5HzTj3TnMq/9YblP0CzqD+9yvA/jSLyvdz4BD+5+Pm/OV/Wv2Pfnj84Qaq+LQbBv+iKCEAqtKA/b9Wdv0Igz70hYBxAhdPOP8Y3RT/HlN+/RfOSP2eJmb9cchHAqu20v87St78nkxK/qcoOvnX1/L/TeXk/ctoMwKLi578j0Sm+Y9qvPnjd6L/8bw7AkkKnP/Ebgr/qjVDA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1ede425ea4b0300383d222ef89099f6a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "I0X3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zjZ3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3zInvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FmpNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZRlKPyrGcb8s8Vi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "ozf/PjKOFbtA8Jc+lcsxv7yq6z4vKQe/fbwFP/ORqj9OgOK+bPbtv7QBVD9GbBU+NxnoPh+fDkCxIig+6A2WPw2ksz8dY6e/hrOAvx5car5NOOq/4uGQPs0a4z1iQd0/cX3RvwdBaz+UgIo/f0W3PwmMl78bnIs9ItBqPxzRAcDWWMu+EzUSQBidbL+Lmw+/DgnsP/J7wb95M8I/Cm94P+OQLb/fFBlAVlY4QBqln78XQuA/eHLaP/KyI8BTjeY/GGjkv9rier8EDdK/v+XevTxuQL8XgwzAyiS4v1CoPz8x1DDAZXbzv0qumj57iV7A", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 30add1e47fe2f32dbe43929f6248160e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AET3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MgVrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nDZjOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DJJuvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tJNxP51Lcb0DQ16/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADAdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "ymNlP4HowD5t/xk+UXIwvuq/Qj9Ijmq/ahnQProGFT/+68M/RocUvxHc3j8tfCe/r3qgv9MSHb6YpJW/uCGUP7NmML8iolQ9xYgnPfczRD/UMydAUx4BQOYWmD90tuK9XyeFv7Amxb9GQ8u/gZoKwFf1Lr8k8RO+eHZKQGW8YT+jGys/d8TIPi5pZD/CGuy/T0Dlv9vKK79Iv2M/NntLwO8gh77iyS++EbuBvWRJ/b8pKKi/kgQ/QIzuhj9lUt4/KEiev/vT3r9ImSnAcA8GwLrg/r8JkDu/Q3BeQIzcJb6YEwY/Ul99QHiqxT/A86Y+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4e82419c3d2028d897d507ece563ab59
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ry/5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "c512vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7EyhvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1nNivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3xoQv350pj8wEhq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "cgY4PxbH8D3NYoA+JRMOv7H++T4XtRC/vcqrv6tVID8dPD4/HyFrvaQYgj7eFsg//QIbP3aatT/FAQm/VrMFwDBSJL79+lw/tr0Xvg8qfL8MNw5A8KHlP0dAVL/Vu669tZgmvxY4XL80JEJAa9uLv32m773KV+q/AEHMv/QmiL8LaM6/mDaJvmSWq75+tCHA53bmv7MUzT8FHG0/AC4FwODzND9f2RvA1yARPyusFkDBLY48fOibP/Y0uj/7Sbe/6SOjPlkIhT+a/w5AA4IAQM+LYr8YD5e/81zWv6MSxz+5HynACT0bQLeLvr+4QTQ/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cae9c508ec3f18dcc4ab8c18e5789f93
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HyMKxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "oOF9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Dk8vuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZCR7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ox7WP4PAyr1t/6I/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "K/jCPljhcL1dzUW+cDQxv63wmT5Lt5e/9kwBwJBT2b48Noa/6IwSPgdseb/H9j0/nAHXP/79Iz/Yise+QQiVv1U/1r+CP2M/DYQGQI/4+D43CLG/F4gLwLiBqr8eC3a9+33uP5oTBEA6xmk9zEqMP/6JEkCg5TA/woAoQGaNez9KDi8/w/w7wDaIWb6k6OW/cvOCv32oMMDhYlA/6TpnPyCln78Ia7s/WHCyvj1yAT7+ng3AY3bLv+kZvr8E9vA/la4VQDchFj9/Jv4/+SJrv6rKrz9jMJO/hqdsQDwHgT9edOg+re82QNA9kD/SwSVA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ad7cdcdfaff42fca8d1b51631ea35349
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dp7Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "d6Buvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nzmLPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ox6avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "d4TTvH5SrT2Mvmq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "AQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "LPqZP87VcT6UVRa/Lmc3P9+ejr5egnY+72dIvwZUXb6iexk+tF2pP+Px1r/6yf4+d0+sPylZiz1nUs4/BJwWP0ieHsCAkik/jVvKvz1PAb5frYu/iJnJvzX4gT9Px529uw8EQE6zAcAnwG2+sqf3P/I5n7+iE90/9Saiv3YdTb9NlW4/qSBqvxEWOj/FuArA2oNYv2+J7D88Jo2/zNURPstrDEBMW0m/gJ0GQCxAXD8fU84/XyC6vy4HLkBYpKy/8XQfP/5NiT7jYxpADIwdwCrsPb/1zJ+/0MKuPOOvsj72viXAc0PLv5r/eD8fVD/A", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 798fee01ba0a0d4e8d26a4a4cdc53a9f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "x6usww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "31Jevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "K6aSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+tKTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XtcXPzVeAr+oV8q9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "PEtbP8wHwj4AhGw+kWehvkUlRD8z1o8/jHeqv00Snb4Hj4E/yxBEv4wfq7+QDV89SPDNv9IohD/yiPQ+NdJ+Pip4F7/OaTG/clyVP2z7tb9Np7i/KU+/v5Mqgz/Z5wi/JG76v+euIr+j++o/B4XpvWmZqD+TWgJAmLbAv77P4b/TSCK/faDOP8mJ1715QWE/ekXrP8zzTb+04ALAo1+tvmIcC8Bw7yM/0bvkPxi4BMAib0y/aufBP8l9xj+DZv2+7SYbP/wiBMDwKwjAKqlKP9A5BEBQBZG/aKH0P7UvEUDGuWo+Y1oWQN6AnD+tcY+/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9b5e11fd91ab0ec285fee36ed76f30d1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JTT5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "M8GAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yqfHvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ga4dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JxTCvmItnr6Zuxa7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "TYQ/Pm6OEr+wIao9Ciaevyoti791+d8+0zwIPVss/j54vZw/QrVjPgnPwT0eaKO/AbS9v2DZZz6rSJ0/MF4BwI2VdT9PCB0/H9MBwPxKEj6vfCFA5wD6Pnb1BT7dewlAmKE+wGuLyjtRvhxAyzqsP2iGyL/PnmQ+Y6Iov/fM+DzF5AbAUP/CPrOlwT8BqoQ/pjSlP+xGA8C5ypk/LaC4P/fHdD/xldS/gDEXQADtmz9dE26/+F6uPwdLqz+c2SzAze+kP7RQFsCalAq/wxAUQOrDiL9UcBE+jt7yvw9ZqL9aGcy+sYCXv7oJ+L+TkY8/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7388c0603811acddfab01028b4d31cbc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "saTJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TiVzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ea6PPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RX6dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/yF9vgtetD228329", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEgdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "hbHePuPOjz5aIIs+RjNivzGdez9mJRY8V+zQPkcRzD8lg/K+eRUeP95Iyz+a/MS/GDNGPyQxHkCKeUI9uhuCPxILaT48q9M/unkPPz7lG7/IKQ1AbFTRv/ULIz7JmX2/YDJGP/+fkz/IuQxAIHEEP5WXe7/lLxi/6kYbQJy7WD21QMU/F90xQLGVA76OshpAyL1Mv6iZgb/15q2/4hr9v+ivl7+Wh/O+rsggPxbr779Wu/48JtsvwHc7yL/C0IK/aDoTwBBBIj9Jetq/dpRWv4pOuL/8vxbAgt+2v1Xsuj+SO1E/stuvP9/2c7+yQKO/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d60fd71a20fd972ba5f99e9f4b7d4424
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VdoAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iluFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+yQ3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1e1cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zO7JPHKKNj+536G7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "xvEEP+sRBj8oeOu95wYCv9edYj86FpK/yOPrv5B/Ij92HlK/vb9IO3ohZr5L9JM/k+KNvfC6Uj/kUibA47qAvrOSCUBl2Pe/PRREv4yK3z4wpso/agIwv92Eub9uokE/fVMCwB71mL7B/ni/d0QiP+PBLUBmJda/4Y5wP/iP9D4ogjLAkAmSvwsjLkBj9wrArEudv3v8GcDAV8o+mYZUv/pu+j5G11LAf+nXPzwJUD+q32m+Vv6NP1846L6X9wlAC72yP7/3zb8WYy9ALjBYPwE1IcAj0iFAzxzYP3JV4D5A1xdAaxkNQJN617+8VF1A", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7ddec8a5786b1f951745c4354245e9a8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XZjmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "u2J2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "z7pGPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "twiUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qYcQP/OTyj4z4Tc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "en+aP0ZUBb062dK8N+6VPQ3SOL/Dx12/ZrKAPWNTCj8mJ2E/wUWVP9ydob8UFm8/XcGkvoc8dr+iiSI/x1W/P7FSib8FWvs/bMGYvw5ovb/3mYQ/gUcFQPlaAz9GOcO+yvcTv2E+2ryJybK/oaWtPs464790qt2/kbRKv2U1zT9st8o+7yHDPgj0PT+lH/Q/2AHSP/mIIcDtE/0+KlwmQHh7IsAbrhQ/+yJiP/plGsDV3Z+/zgrAvxaHIEDotAg9B84WwCBeZkBQ9tG+e5D5v/m6gkD2yaa/sBlXwIRkT0DXBii/klgdwDOni0CYy7s+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 473c658c41324c3b37bf61f7f146757c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wxG3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "T1ldvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wOpIPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AMqHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zeTbvTpAsD2mm8S9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFgdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "CUz2Ppr7nr7kGYM+mypYv5wPhr9qccU+i8KNPqlUhD/XDmo/MeaWP4JawTucKsc/B9WUv0sPij+k9bE/8RPDv+Wrr77Ekb0/rJIhwIzO/L6mkr0/F+ulP/xG/r5rhYG/tq9XP8BQ+r6CdR1AV4g2P6qJ9z9LC/4+fsYPQILjRT66s8A/7y4XP86s3703wQ7ALLyvv4jdfL/MgxS/sZg5v2PyBsDzMSM/O3nhv7ek0j9FIig/jV3UOwJLYT7xoU7A3I4Bv0uPAT9JroPA1obOP33Bxb/daIy/URMOQEuNtj38z26/zgKlv6Wnxz9egRdA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 428cccd079d4e6313072e85ed20dd488
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7kr3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QbyGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xctTvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kYVYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EMwZP3qqGz+R0Ha+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFwdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "z0EkP9Zi+j15SuK9zyyIvoZmmD+4GmO+ZAX+vgtz+D9663k/0G9Tv5pQoj9FfeM/bJjiPlOoGkCr5aU/jTvHv27WPkDkVy0/V1YfwGX4H0AK+MA+0rydvx9GaUAAGQS+q97fv9h6ZUBNtsg/bVGCvX88oL8vTGC+pV2WvwwwqL8IEj0/VomYP0JfDz4RtFc/hhoDwH0QsL90Br8/iz7VPxkYoD5cIZ2/BZMCv7yCp79RxZy/V3wFQLUREL+Crvi/GdlmPw8UFMCXJ5w9X1DFPzlmGMBZsjW/Zuj8PweIrz9LBq2/ZKrZPmEdTcDERyo+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2c22c40da53ccdb091a79f9dbba25b15
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jJeuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Qlx5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KNeUPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lPuFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YkrEvq0XA768BRI9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "dK2vP2b8wb64+HA/aiEWPqTagT63xhQ/uiKeP5Zxrb/JQ/k/GhzWvoto7T7MosA/DfU4v5erEr/Ql9W+TmW6vkiezb8MkNe+8bv6vjhXvD0bsea/L8TxPmRkwT/uaje++fkMwGYYDr/Bkcy8Jz0RPr5VtT+lf7u/gcqfPon2C0AZag3Ainx2P7SXFkAZdZY+nxAvPodUAL8fmRzABvIWwPPlfL9K6Hc/inclwBx28T7Enqa7v/i2v/T0VT7GuhbAV4AaP5/ADMCQ/dA/utgzwIStj79YlTy/mflNP02hbr/KkzdA4gMPQOYz3r8+0wpA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fd36729202c7f015c3e8b94ad75b6978
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FJOuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BJGFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8DaPPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wF6pvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DyibvmKEsD7S+5a+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGgdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "E1UWP5QRBz4h7LK+kt4Jv/UQXT8K0ds+wA/TvbZpnr+2AYm9oDCfv4lgBL9OdDI/YyrYvszW3r/umnu/UvgQwCOhPb9FQsU+Ub3yPhUF+r8qTgY/U7woP4RFAT9Eeei/ZkqAv5btq74F/A1AGXGUvsNAgz/X0fk/PSqxvl0y3j4R4RDA0818P6qzxj/4R/W/y0nLvpq5jr+UNSxA4tDKP1DAdj4WJbc9FrmCvwiM2T9+6qm98R1DPwjiij8VrQ9A5mHIPw8rxL5DMx3AshfFP09cXr5wy1nAYj1Pv1GE8D8xJhlA3Tz2v6BUa76z8DJA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5d1abf8cc3680e522be7de4fca75e2d6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "10T3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lSl2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ebDFOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GVd8vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "W87VPjRLgj0MyF49", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGwdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "x7tnP9Log74s9QU/WQb1PsyiOT8MzkE/WwADPqcLgr/hd+m+iZmBPwl3iL88IOU/cbrTvVz4fL9b1itA9fSRPzIl1755Y0ZAgUH0P3Xn1r3pwNo9qiiovy4vX79O0Oy+SSkAv8ANtr6rEs6/Lf3LvmIljT9uJfO/sgzhv8FiB74AAko+mVnjvuGNc7+fGiHAICjxv/fV5L8Icxa/s32UPx6yKj/TdEpARODSP+nMcL96QHpAGFk6v+6M8z/rF1u/jQ5dvXRX0T/HCkDA8rMZvyTdM0DFnpW/Up20P7OmBMDwBtU/HAE1PnnUbT+xg2zA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a452bc7add2822518657fbd472896b76
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CjXcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SWdgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1PNuPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HxKOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hIEfv31cm762SjA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHgdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "McwtPxz0RTxyewi95Z85vy4d8r5T9xC/8FG3v2x68T4fG+I+ykJ7vTAaij9P+lc/StR/P/oI5T495Lu/q1bevt4AhD4uS+u/FoqUv12g9L85OS+/cs/TPWwlB0CROgY/znCbPj9ifD9EyQ1ALleZv6UQGcBhdpg+iNTsvmq5HsDRUKe/GR4KwOQ//r8+GZG/lIiwP3Fbuz+lzs+/d9XXPxzSh75nWvi/T8rwvxUAn718xaM/7xrOP30XQr+qxiM/E0gRv0W4oL6fjCrAAf0KwDn5kz+lnsA8QxvKP87/6r4jAsg/GDzEvravAD+v1CtA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 22aba5701308d86201848e2094c4fc33
username: gastegger
key_value_pairs: {}
data:
  {"energy": "d0r3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "R1Rovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "COX9vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ppdIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bt1NPjDYRT/92cO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHwdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "cJEVP3Tho76XBb6+dEgQvwqKgz7svPI+8QrCPbjlrL/Usae/maKtv/hxFj+VUma+gsiBv+AKQr8a36g/WgyjPzf3Tb/yBao+O5oTwEKqDr+KCu4/ZULuvf2GwD9kP54/ngStP1+aND86jqC/N2VdPrlGFkCxlRY/xmc4Pz4fyD/6lcO/HKYQQIS7ij8u70e/kAw7PyY4lL/jlRnAJHnTP1Jd971IlBvA9XNDwC4X3b6kAIg/1Zz+vdpUzj9t2xtAx+cVwJranj48ziFAfLXoP0Djrj4ZDFTA4EUdP3bE5L9zyVHAii0jwHhGur83fhtA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2937fa2deba278b17fca1b53ac2f6aae
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NKDJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ak5evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mwOEPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HCiQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PGv3PUImGb/rbl6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "GbUjP+ZPrD7OxYu+9o8xv5NBpb4U1Aa/JJtSvlNfbb7H1mE/Pjz9PRrYqr9PJbC/YW6vPxOyA78hIZe/nkknP/Im3z8QdIg+UvA7vhQeor+xIhvAXm+avlahmz8UdLQ/SpfOv7gV9D0FUGa/B1ccvexKi78tksM/Uwg9PmE7pj8IgxhAmGxFPkjBMsD7W3S/hFqEPrHeIUACZ8W+4vn1PrGNOcCPUMM9VDbIv7DP6D8Dssg/ufYEwAu61T+1a0Q/IC4JQO8agr+Wez+/BcDOP/hqBEAQzCs/S29Hvxu9UcCmnYu/2IhsPyeKVcBz9se/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b1e7c11c35c3175c684957588715743e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DDncww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lWJ3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "P3SBPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Wg6cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cv7mvRA7sz5AE0G/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJAdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "IvaBP7NS4TxOU3w9eiWUve/9xb2FpH+/IBB2PtqxYT1phLQ/0traP3zvUr/UVEc9FC2Nv/ipPz8EhYc/j+qsv12Jqj6BkcC+qLd/v0Iy6z929o0/z4mJv/h8jr+Ysxe/rWbXP/cOoT9CO0m+2N/Iv6/euL9aTbW/MBGOPjJXrj2syxzA7IoIwDqSTD+cXXe/cZEaQNtcqz/tMdg+KtNPP9Zjgz9sCSbAtc3xv6Cm4D4SQ+A/Xq+FPeK9nr9L+fg/BzJOP/BRID/AyglAft7dvkiX3L/3FqI/rGNsP0sHOr/0VDPAvWUfvw74xD22pUTA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e4401f5b45ca8a19d6485d69dd28dc40
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IKrJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EyiKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iQnqPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rMiYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4NbdvB5Qbr8A42k/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "D9chP/uTWD7YZFM+Wb4jvyi+oby10ia/vgGsPm/tjr+ipnM/lwnBv5FG/T6ko2a+6zDEP6Dl+T2318++y38dv+Qqwr8miV++/Ohvvvd4cb9Mhe8/fS3svx2QB8Csqfg9PlgXv6hSUz5W9du/QKcTwCXkxb/VLz4/OEKWP6G447+DEpc/Zog6P4Vfvj+rOoY/CvUPPXHoG8Aixp6/7S8mvk38yz/10dY/Hn/LP/u1tz8Awtw/R76AP5s5A8DIC8i/6QkcvyYbIsAljgfAuWw5Ps+GW8BoFk+/W7RbPxYtLEAvbmk+Hhp1P7kZaECtpOK+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 34cb1d6bf15b83bd3433ce7f6db06988
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9zfcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Rb1wvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "g/krvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5L5Fvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kE4FvzIDfb9RiAC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJgdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "DDinPyxWEz3ZEku+hJ/vPqVcNr/6H2Q/gbUcvmC6y79L83C+FL4Dv4x8HD6zrtU/+lZjPeH6az9V3AxAnc2IPyXWor/0ZM4/sFffPhbMHL9X76i/so8iv+cLbz6srve/enqXv3J9Lz8IgHk/t3W5P8Bstj9o9Re+kj8UQHkjxL7q12++GDZ6P0ZLjr8RVwjAnhGfvyQy2L9PZWq+kapuvwYfrj9ZHMy/KKgcP/uh5z/h/uS+itScv6AJKb/OiSpAXuOZv/fNhr57MDDA+1KOPjfLJcBOA5++i67nv/+crL/VqwxAw2ruvyWLmL0mh0xA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b5eb0193f47e1eacf5e744927ea84407
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tjDcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aQJFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RaFlPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ump+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "D2LXvspPAr9vnqo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "RMV0P98JST5p2Iq9uaiGvnSfHb/q18E+XJKFv3pyrr241kG/ixyCPVPMXD+t4Iy/d2lzPzNfpr8DgV++sisxv/kTYr+dSKs/NV37P0QUXj/xzRQ/uHlfP1z15b/dDJi/0xQXwGot8j4el/W+Vp7uP5xg7r9kTzA/jlohQLWxRT7fY34/1zO8P04QKcB87os/Sb8ewBj6wT9SNyU/EhgKwG0Ljj/K4M0/GqVBwHJ2vb7n74K+Q+AYvjn98j8itFC/nYXxv9VWGkA45+M+/pnBPiKGVD9fjgnASYFhwH0w6j/v1j8/NnQuwBEWaD/lf7W/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3895ce139266ab3a4648e53d5f36dd7f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QDH5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uRd4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JZLovA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dAVbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0jV7v3NL675X7M8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "iecrP9uWIb5FOWi+1gzLviEber3m018/WLuYvuNOAT+dgqC/gr2uvyKKIT+VAy2+XtC/v9vA1T+WiBA+TcNhvwdBq7/eHcU/YncpwIyJ1D0YGs++MkkkwAEzK79NK3m/Qh2cPWBzXj9zSes/ty4av+R/ej8B4SBA1sIfPnDUZr9UILe/mocGQF3PNz6Bd7m9ryoEvyY437/uI6W/vUcaQLJ6/z4EXGw/TzKav+aRBcAoSFA/LcLuvAotoz+Hvvu/ZBI5QISODT7nUYG/kp2xvc9Q4r/e6QlAchNoP2U6hr+twAzA113fvyuKj7+SdwtA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5d647094f2866a0dce79ca800583b0d6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "M7rkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hNV4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hdKXPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6ueFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tOVcvsLdSb+KWTc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "RumDP2e1FT6/7cQ8otCJPXLYWr/Mcjo/u2WCv/NMqr/C6XK+ct8Av8kK1L3jqvo/TpklP+Q9xD9t+AY/Fmrkv9v2Dr89ece+Wm6FvvE8sD9W99g/nQ/Iv/YZqb5sXwhAuLE/v9/r+z9fJuM+yoqOPzw0Rz2ylra/R1axP+C5FEAhsuE+Wkapv0kfqj+oQMm9FSgDQFXQGb0on8c+Yd4hP7I83r8AXoU/R3HqPG/Jy76nlDdAR2V7vhN4A0BszyJAyKnZPlWBU792pwHAde/9vm3W178+kMK/0zDDvxU8DsDNKg4++u4IP7jHe7/NPEbA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 33af1d31ddd0e676a453ad65c28c61e5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RBG3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GxBhvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "b7uQPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6baUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "L8A+Pr4wOT9Oet89", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "q8NRP2W5oz6PCV29SwF7vKZ1ij5nw6q/giDEvXG8UD66XJQ/H42nvyaY277oE2a/lWeSvzHmM79BZw0/YkgcPqZRZD/Y9wzAOd8Qv71Z079QDeW+bYI3P0UEdL8pkVm/zq/6v85yjb/IjZI/G/AGQJRjjD8xb3e8k6TFP+1qwr+oIqG/CCwpv1c5xD+o3NQ/vaXbPi2Enr4w0fw/XhIPwLId/b4IgLq/SGj3PzLGCUAgKFw+pQ8oQGuyhj/2WXq/k2syQNNUMj+Iwj4/2N6VvxZlBEBeT1s/MKewv68bsD8LOx5AdLEHPoF1C0AgPgNA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 64e9d330ddcc906b94219f1c8b9904e5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "20f3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "t0Ruvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7s9FvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vNA8vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XqLaPgCRNj/PTgY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "JmGUP11QJD7l4yi+l+tpPsvilD7TII0/75LOPgvlMb9YaY6/ZEIvP2okrz/AU4K/LYqRvyvK+z60eaU+B8YNQCrGZb3WgxQ7HJ4BP0rDlD/Pxdk/qNsSv3xO4D5Tqo6/1yPHvxZDvT/Fagw/63gLPw8FFEDvNPi+ZQxVPZa8yL8/Qji/m76lv/cT/D5vIfe/NuqvPihzcL9plvg/ziq/P+wLzD9YagzAJbcJwMaZ4L773hc/Sojev7/jpL8HcU4/so3HPzCNOj+IQi7ALXM+vrwpAMCFENY/gBqAP8zJXL9bSjVAuPOGP5cXEkCRBTPA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b2d20c7e65dd131c51c0500a1f6e8724
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6y/5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qOF7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jSjtvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ljxevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LjkuvsxdSz0cmUe+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALgdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "2s+TPwDzDT5cCXU+GvKRPaNXXD+1ios/OLCBPmekoD6k4IK/E60qv4t9pD+FH1S+mhcCQPGCST/+MAo+cipzv/c9Kb82WJO/1EABv5YXHT7zkdk/jrYAP9Fu+z+CGu0/OrdfP6SC0T8pbCtAGo84P8suET8Pg/y/OEbzv1R33z5XBRS//swuv1o2F0DC8ru+dZTMP4d6n78peho/aCWWP5MI8L++usU/A08lwKNOHT7syGk+HKIWQBHO2L9vUqi9AxUewH42Yz+FlrK/m/tdv6Zrxb+qDQC/152Tvxl6hb/KmR/Angj3v20qzr+BTSLA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4bc59ca3d90da3be17be634e74f7e286
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rzfcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Kc+Evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ka8VvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iDJkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PDHrvsvbkT4jhEc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "hkhEP/pSIL6qDoM+0ronv0kdPD6lCRe+LPSEvi2haj4WeqE/dVXRv8b9cb/Ph+W+VGDtvRyTmD9WU8g/s1mivx8U87/KbXK96Lrhv4Ejhr9k3cO/0MA6wO6zJL/fP5497nSCv4Nnuz9BtGG/XaqnP2rcyL8nFqI+vDAYPxwCEMBqU0Y/543IP3oa978btC6/IlfnP1EuXz/sNEm9lJUAv+H6FUCVu/2+HoAOQGCVyr/CT2k/oehLv2q/sD/5kvm/+hMGwDpc0D/tJ0a/K/8zwBO8D7/qLYQ/NNu+P8rE9j/kzcI9nLo7QA9cGz/mdcq+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d9d31ec670b73ab22d9032a648489775
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9qLJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "O1Vevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wLCcPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zlaWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nPlVPCO+070e3B29", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "8aiCP8MayTsLtDY+85Kkvb2SQj1rM4g/tUiXv5CIKL+RzA8/pgXOvzHcRb6iFFC/VKBAv0XQTT//FrS/y16dvwrM2r/VGlc/fS8cwFf+ED4mg80+q7wawE2slD+QQ0U/IGsoPz7E4D6JU6G/AJ1rvxyg2j+wtHu/g68AwOcibb89IcG/SYmiPx5dpT+bvMi/IgZgPyeuwb47oPq/OABZwFKiu740BwU/drgDQOsth7+qkto+YzUUQOP0xz79s08/kqYSQPboIj9w+e4/gHBBQE3Udz8+0GU+nf7vPywC4b98w50/H5UlQIzMu78G39q+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b9d27f1b82c1451939fbb2e9c2ce176e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1LTkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "R3Fuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1smZPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QdWAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gJrqPm9kfj6Xc2m/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "4AoHP4fskz7hcQO+Fuvmvmoorz/XcqY+ANzdv/dQpD9OsdO+4nV6vurY+b7S5Ze/YgG5P2jjPD8Page/cyXPv5hnDD5mi6a/Hp3Xv6+NZD98J4A/T18kv+Q4lz6KARvASZOMvVFLF0DbXwU/boshwBAw4770b7e/x9Dev3EDJ74A/p8/noENwLBpxz+wqtY/+jxTvnt7oz9wJCXAAkNhP7toDL/qiHs/piGEvcLmxr+TV6G/EroHQCiFib8nDoA/GuNQvwqTir5qGFXAt7IxQKIxL7+z+VY+9e4bQD/R9b+zCPE/YUxaQB05DMDFGOI/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5ae02916b2b98844b8940b812e8847a6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QZ/Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "I75jvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VKuPPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5smVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vTpHObAbLj/e5fK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANAdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "9xSEPBtMoL3zJeU+KKiCv30yP7+m9aE/BcuLPiMCv75IWOw/QCgzu0NNqD9MmVm+E8GKPnCGOj+F7TJACAViPy3+I7+wzii/ENBeP8aTQD9RRKy/l5B6v08Z2z8ThQG/+QZjPjdb4r7xlP2/ml8GP/EMBECyNcQ+EaLXPxqapD+sMum/cnOVvxirFr9r0QXAOyG9v1A9kDtBKDLAHwjZP+OSq7+BZAG/rcVIPybWWr+OcDTAuqLyvttGwT+ywSRA52WhP0zzmD8tejRASR3yvwXuG762NMU/Z92avxfe578Lu5Q/tTF4PUMyqz5f03JA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3137cb8fcf3a32becda4a9d8249d8990
username: gastegger
key_value_pairs: {}
data:
  {"energy": "h9kAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "T0BTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xjJ9vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "I21Dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2QhkP6bVML7DgfC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "3GUWP39MYL707i4+1x56vpszXz8QluQ+FG7Mv4KmLj8fVdA+F2sFwH1GDb9k+6W+mo6hvyvt2L+X9OO8FCyNPbyIuL9HdLu8WXAawGFewj+I62I/bNUJwBdUor5xz+q/fg6WvykGXL0AKw/A6IMwP2wjFMB0GC2+DGL7PyArrj3TQR0+v1v1vzawE0AIG6c/qgVJQLHvtD5njBU+IzQgwMXZnL+xKBXA+OCRQMacLD/9Qwk+T2I2wO9I/j6PKwPA+8iWQHP93z/bkog+1ZdEwPckS7+rIIs9jPGiQLJlJD7w2XA/7M6gQGnUxT70WVC/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a05f6615566d210f8cf6b43814ee8bae
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rjPcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qpl1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4gN7PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "US2avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Ga0jv0cDUD/8NYk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "MpIbP9jE1z29jqw+karZvj/ZTD9KYSi/aj+1vkLZ8z6pMr0/qp1XP1fvsL/BgI493Lv1PwccYT9V4s4+1NbfP0pb+j9MVwI/us8fQJ1AND+Y9AG/apohQCh5DT+Z3aA/5wK1vTOL+L8CL2s+xTiivwzimT/yeg4/6lvXv+B1yL1zFZI/MuWIv50Jh7xvKc6/CFbuvycSBkDy0TQ/Yf3KP7SX4786PUU/rinVv7amFb9R1oy/hPStP+s6zL8cI56/QSi+PLit0T8O1pi/AoYrP9Sfpb/S3Ou/48nMvbtANT92YCBAWlIUwLFFwD3h7/Q/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6a0fb75b7c967ab84391eacb2ff19ba2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1jX5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zVqCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bVcovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "v59avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mdhcvxTLLb1pOjO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOAdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "WCOnP7e2fTsoerM8a3KxPujSIL17fZs/ETaGv2O8IL4IYAY/dFHNPsAwbj8uMN0/j2ZYv70PGT+DR0y/LWYcPzagNz/bdYu/ygstPzT5ib9SAwZAR8Afvr8G6z/3hhu/RpTov/NXsz6SG48/4V8WQOEZG7/ggpm8+tHyv17KFj/Ol++/DRa6v0znzr8MG5w+Gt6EP3fMSj+4XwXAgIEEwEtY2L7Xyg/ATjk+vwGeCMDnWbK+ZtzCPxKot7/VGuQ/MQa8v0p4CcBW6aA/udvLv0MTnT/WCi3A+YAcwLrH17+j9xi+yAg2wEVxeD9+Bb2/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2d42ca20aa7acbb9ceaaab6ac8433cbe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Up/Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "T+Vkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NlmDPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9UiTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+dqzPtNNSj/m6GE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "IEWBP/ac3D0ybzs9ztCqvTuqTz83JWY/aIDiPkkdoL+7Q/0+WGAgv5xqBL/voas/Gbm8PWLozr8EaVm/hoyDP62AAMCw+oI/sUY5P6X00r7XyLG/h4yzv5DbsT5jB9g+Os0GwJHWUT8cZn0/W9r7vVTgrj4DFhnAYcaKv6fsHT+sKPu/G0nWP9o1NL/5Au6/K9kBQP2/1D6fpY4+zL3PPjRanz/J1i3A3r2Uvoy7j74WslHAsPewPYwWB0Ait88/s5iGvx+2U796fRJAiUZaPYo+PUBWTW0/ceaFP/aACUDPcQlAdWQ1v3hHEEBYKxdA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 80e1705ac357b628a459c4157571fcb1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1uEFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "86p+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZHUrvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ms1Tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QibZvmpNCz9uTI89", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "ujj2PlZUpD5I7cg7sKoQvzPMgD4eanC/OXjvvzLbDT8LXl++syIgv/poQb+trbC/3cXXvhdZej/ZLeC/RVDgP3fSQDyutge/4lzcP17Kdb+4SIa/zn4DQOgIRD/K7qK/Szrbv/c2uz+i+cI+S2oQwNilCr/1Mxg/tXwXwEFqfL5aIcA/YuMvQJmA4Ly5qh8/m0YrQDpQaz8bWpY/cn8/wIYXXD/aLJu/o/QdQHF4k78W6sw/Jfl8wEABuz7WOnK/CsOxP216rr+VkuE/S2s3wLxyxz9c0AvAGs5UQNdw4790IgtAWZZxQArm+r2qGIU+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 67c54576fb7a37add1b84f78988b9784
username: gastegger
key_value_pairs: {}
data:
  {"energy": "STrcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rpxNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DhMNPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cuFwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XTMZvuVEOz0pBc0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "yZskPxqfor7cIFW9qNc5v5P0ab/cN0o+TaOpPyY6jb9TZdK+4i4rP+rAKT9/Y4a/oi6OPwRGJT5dOpk/lo7nvymu475lCd2+s1HtvhWKxD/8vIS/MY0uv3CeAcA05IU/DrfdvxUKQD/P0au/HMMLvyaKAUAHNmm9mXjfv6Ir6D5VpxnA5xcfQMnXAT9qjZg/3+Qavcic8b9oZeg/VoExwO5RbL/i1o++uXyDvpgSE0D0ReW/34csQEqvpz+SFvQ+2HnLv3+qE8CxHrI/h4cmwP9Zsz8ho5i/3EdHQK5cuL62uXA/1v0uQF2YWD/CvAxA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4d0515b9d744a1e6f797370775170929
username: gastegger
key_value_pairs: {}
data:
  {"energy": "taTJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NshUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BMeFPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3NWLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8Z2Yvh8Rk73n41o7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "yho1PwMqIj7XIoE+jbLOvt0XTr9Iu0U/WnZ6PQY4dj/AtVu/gbHSvxHvA7/lRUI9c2cCP5aZ9b+ZD18+ozcQv1GWVL9dMe0/cO26PyIPd7+C75a+clDGPy7vbz/yC58/KbGtv+xP9T7fHny/tb+LvyuB7z/Ypfa+MNKEPTsuIsDrPxO/k1Dsv+DZqT5NZvi/7bsBwDFlrb9Jr76+jicuP6oGmj8riNu/XW2lvzMCBEA6VhE/f1V2P8rwJMCwMHg/ueN5P7tC4D+0r9g/CVL1P7zukD6obgJAoIilv5h0LUBuwJG/258aQIkgrz/ZdTs/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9221a0db80835bccc73a791624a206f1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Lr7Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "G0lCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lx4NPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wZBlvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WWnSPncQOz0peT2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgdRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "rJ51P/o2FT3paNq+fl47vjzyhD9Jbfe+coSHPnWzpL8M1bq93kWdv9p9gL/79LI8DkHePw2xxj39Gta/Nrevv3H+6T5J0ni+S94WPu+cF0CVmC6/oqYjP1bKC8Dp6RK/n7Tlvv+2tr9Kx58/VINyP0xCHkAhtKW/YQf9v9/n178I0Ly+7QAev1oZPkAGKHS/bh2RvtxxDb/jOxhA0QznvtU80j4KpAZANFyZPzohob4DkBvAeaIpP07AGb9yry9AFnUlQHk+6L6vSMu/DdbSP9BBqj5Yo8E+I80UwDYyeT/oulO+r78bv7ePHcCE7MU/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 898b3d3ff5a86fcff7d6817229332c45
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OK2sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cXJfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5lczPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NSSGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OnWVvgyTUb8vNKe+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "h1wEPxL1A77Vpa2+10NAv6v2pb6ukQE/xdIbP+yNdL96LIe/4kDPPoOfSj8n42u/OavhPwZbcL3b1gM/4uHhP3udQj9bhZ0/ee38v/oWyr5X/ou+0o8mwLN0Nz+pqEG/e00PwMjwo7+pOiu/2xIdQNQTqb8gcXg/zwhbv8pnAz9Wwpk/SMUNwCal8z86UvS+59crv1Dmnr9Ml4w/AHEDQAY8EcCWUiA/WfVGQNKv2b69aFW9e9M3QFufrb/uLvw/PStewK0q7z5KcLC/ROM1wJl1JUALg2W/5V1JQDqaRb/OK4q//kN+QEyoHz65QX8+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fcf99e74bcec93037e5481d14bffbf0d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SQrUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5s5cvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "t7SaPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fSVwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bZBpvk87rL61Fbs+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAgeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "6SebP8hvAT1NbmE+fAEDPq3dJT/r9iC/QTx4Puh+lD68Gbg/ZoC6P2yEvr/WPgo+ncYHP4CLAsC9vpk/OqZBv7paij8TNAc/bDzdPJRZoj+h5PG/sRHVvTVRjL9wcfM/k7QHQN+mIj/ApIM+Z2inv2CPRT5i0Qu/eKzUPs3WRsCLYq4//54lP6a7bj/kVA5AkfTcvzFfS7/mLse+PgGdPw4e8r+Rxlu/FT+Tv0/EA0BeU0k/aIhNvxBPpb84Ui1AZA4gQGuO4L9cR68+F2uzvxDKcj9B+fC/89wAwEmQ7T9WqPW/n3nSv91Alz5BVy7A", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 79c46fbceddd57574cce4f0eaa86a188
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LzLcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qMZrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "D5xzPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1laUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yCTjvbVPTz/OUz0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "w1h0P29fq70u6VC8h7ySvoX8cL9nFKq+O3WQvyqO5725IzA/xlIuvkPt978CRdc90WozvxkKkr8Yy9S/2IAePh+yLD8i54M/wXr5vy7H8j7CSYM+BIY2P8ZMrD9HtPK9PyYgv/m4n77aGAnAA+7kPkx+ez/y8AFAw9rLv2j3dL9oXtw/JRq4vQMiAEBQTpK/VYqIv8frxT8xBK6/sokXQF9sFr+B1tC8BPkCwINK1b6TGhhA0gQdQJMFxL9pegU/bhstQAl6RL9JuIa/mHJCQBRFFj4PPdo+vsH6Pl+0AkAKggTAboiOviIYQkCc81O/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ac53dc95ee4be80e5cca68f5625c15a8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+rrkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6ntdvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1/b2PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xVp8vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "T6+Uvq+U5b5CPtw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABweRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "rlqRP5+/Cz6HrNW8nsOLvXwtxT3YfVo/pLeuvZIPVb/olrk/WMlsvSRXbj/808k/e+abv0MpPD4Y+hA9eyipP4/TDD9I6ai/p6UYQA0tib6QUcw+Xc4ZwByaiz711kM/b1knQPzrJL+W4KY/cwdQQMdJpL2poyS/8v4oQCm40T5c8Ni/M5QSP22Abj+eTf+/WJ+JQOgqpL6rCxG/5Z8ewAQKlT81x7E//qNDwIzKfb/ruqE/uVkjwCk09r/weoQ/PKhowC5FZ74ECLc9rSFgwK/1KL9v9mS/NdORwGzVpz6mE2U+oAJlwGgUer+7sA1A", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5fbf80a2a25a9dcacdb86969446de787
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QqPmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "z72Hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "n8gTPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FFyMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5KDEvb6f0r/tZBC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACAeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "H6p3P27X2L0Ecg0+GdFMvoSLgL/1ngM/yNauPSYqKT/kaWS/bAKLv6nMd74plAC/zUw6vzhy2L8zczi/4BkHwA5uvj2rKsq+grT6vhvfuL8q1PU/0+LHvp1bG78qeSdA04CGPph86D9pE689bXiBPwxQiz9yoHw/b3RPPljXDsCWRg9A8Cp1vQpWPUBGryo+FEj8P9mg/L5pmwu9JabAv6O967/xTgBAtpWjPo6iWD+/Vfi/dxXNPWetDsCnae+/8zHIvwnWFcBtde++eL5tP4T/yL+i5gjAP3kGP74kTcDN3c6/HfYEv5cPF8DO2DDA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 729bf4d11719450237b4433c64041a11
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gTLcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YY5uvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ev40PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AOeNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jbQcv6xzBL+5x6K+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "mxOGP7LFcryEUxe+7z7hPbHjjL/V6wi/HNwjPy1udr/uJGg/gBmpv9M/c7//GY69peVNP7/Rvz+Fhia+wzrgPtjA879yG5i/YA0fQLL3l75hqRC/3iYtQPddrr9s1vW+dtdEv59KJL/Tn6w/h+7vvsxOAEDPXB8+1Z+Qv97gxD+Be8K+ZaK/P9qK+D8zGRA/CrKQP8+17D/zAZS/RuQFwD9MujsRjku/4YtpvzDSvj6kqds/TbE/wO4FL7tJUeu+/4SKvx0mr78LawZAHq7qv0h19b9ZE7S982EqQD1dmzzchMy/tsZLQG9ddz43OKg9", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 292673b98f187f726935f3e72dd7b798
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iuEFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "322Gvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MsZHvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Mupavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "liYlPrH5OL5hN+y9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "+KlPP9pEqT5w0Dc9mpfBvs4nCb9xyPq+qoAMP8bUVz8WUao/WtrrPqAVrz/Z6Yi/yloLQEzQk77EEMg7Dod4v9u0Qz8q4I+/OkIfQBj3Ob+zs3a/sjmYv4IfrL9w1P4+Vfy/vCdSmb/U06S/co05QPLhnr6VRno/t2/zv0RpuD9qhqC+t6m3v3X1KD8lwAbAkATfvyQZLL+a8JQ/nrYLPyF+GkDMDEW/cnmsP/doKz9YlO0/jnIDv1Zk+b989I8/X/2CP1Q0mT+R7P6/oJe9v3mT0D+iCgk/DWoEwHuXCsB1cIS+eTgxwG+THsD5iKQ+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 20d4ee8b7f83e275d02ebb14319604b7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4jX5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dM96vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "B9HavA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "U3Vfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "weIwv2sOOL/y6ny+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACweRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "0XOVP/PqSD1wtW2+KmmhPWcDoj6AFlU/6LjxPmtAiL8IGY2/qyAFQPHHo75dpnc+ox3FP5SLoz+/eoO/DkMpQMtr4T9/Z4a/EbOFv8EVfT+nzG4+9aPbv+bpvDvwDxm/2HNiv+xFor+PP8y+N1v6vtwji7+XkYs/jA20PtvhQr/RZwnADbI0P8TU3D88Es6/8n3dv8Avtz5GPdG/lP2zvxNBDMAz2SW/KMrMPq9yZT+MUNk/ewAwwB3t4r0QoIK+BiaJP+Yb/b++Zoy/MCiKPhw857+vYrQ/5L/Evy2ukb95iQFA0nYAwCfml774qv4/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c220e42786bfc92e2b11d335a7dc866a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nqXJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fzJmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RiSKvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9u1Uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "INJPP6J6r798CiA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADAeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "WrrTPumb4r2ztLI+S9oQvzJXor/qbRE+wN6yv6Brg7/NEQa/dKQbP1g+/b/t5ha/yWCrP4HGLL+Q5x+/+YASProWsT+6EfU+R75yv4VC4L/8ToU/RmdFP6EYET+b+s4/hEMhPpX+xj5IuB9AqJSLP9BgLcCwQJc9mHToP9sbRD9kUeo/kVBLP15nAkCkS7y94Yyfv0bS7D/cHiA/Lvjwv+7SmD/9R6I/EuETQOlcNb8Bb6q+gSG0Pg9FJsDwj/m/IFfav13+NUCM9+Y9juoCvob+77+LWyfAehqXvhKJXsDuEe6/wQulP1StOsApnhrA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 565607f20585acccd17afcadb9a823c2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "f8ruww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AwmCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7s4avQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Sl5dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1A4nP16iij9P6Yg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "SVINP/Z4IL3zXfs93TpUv/kb7j6XOyY/0K3OPiFKL7+0faK/wZH+O2hq2b+DBJG/+X6IP4cnhb+JKns/7/3FP4BxkT8BVKI9qZ2TP4YM+D+W5w6/u0HCP5k8Db9bNNg/eDTHvjO6oD3SAQrAsrIdQMhTQz8OZsW+gKWVv0VQpT8skJ08hNPwP2uMxj/Dk7k/cPKnv3Sm7L3/E/i/RjqfP9nSEEAnB+U/TNqyP9lrSb/5x9u/ANszQDcF+j+Pnr4/5R4zvy36Tz/p4tY/5aPvvwHpHr8z5Ro/qVABwKyEmr90UcQ/Y/cgwB3zYb9Unce+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 732dc18879ed345456f82fe5f2e13646
username: gastegger
key_value_pairs: {}
data:
  {"energy": "u5zJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NNZOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gy+MPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+3aKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KNUGP1vTjL7QRBi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADweRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "Dcc4P6MWfzydkRS/uMgAv0lMCr7yPcW/K+mUv9ZZhL8yFBO/UwIdPbC+bL/V1c4+QJTbv/w0qT5S/lG/3yGvPkfp/T7vD0w/tbPqPgLb4r+TC24/1yggwKCEXz6uzbq/2VLNvmE/Hr4fCULA5JDiv1dD9b91ojy/vXRWvsZaWT/ldFvAmVr0vnAemT+PYGc/F5XfP6jNA7yVkW6/AQ29P1eCMj+d/eE/mKwSQJsJUbyQ/sU/zp3xP7sD2z+95tE/GeV6P499Aj96eEVAQo3VP5zNRD/OI21AUuLVPqbHTb8E/FbA/sGpv4OYBr/VAl/A", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 69c4853b8e3de68124b71fb9e1660b03
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2iXBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wwx9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zxOPPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VUuivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "L4ZSPoV8EL5Ip74+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "tVLuPgKfAb0yOS++VYMlvw6BAD/jWIa/9sPCvyEeOj+X4dy+E/plPnm9i794VmQ/UAISP+6LpT6KFaQ/8f6Ov0oV+77IgPu/8lVmvs884z9jSeS/6le8vrueR78R1x/AbyolP2tvyj8d+hrA3YuSv8Z7178v8ZI/GvJzvtNHbT/sg9k/DiS3P5ht2L1Vdyu/ESr1v5wcab9YMZs/snPsPwAzJD9dD+E/HIqGPxMf5b9o+X8/Q/W3v8ZIF8DQtK8+Gdn1P8N7oD4+TSpAVvxIPaIRJEDDvYm/efOEv4DBCED1rxrAUlKUv5RHD8AL2wVA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 617339723c886f6fc5d0bb739a9e70eb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HanJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zhZwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OEvJvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Z+1Wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9x7ePo47PT/p1A2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEgeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "A0OkP8GOg72LEYE+s1y/Ptdwnb9luo8+Adr/PtpSkT+YYy0/Fzl/v0yxQj9GyDA/HD6Bv0AHRr+GpyM/bwfIvyLBlD8UMiC+Bfb4v4uSvr84C2c/klFyP4uaOL+uS4G/di3Bv3oWjD95O8w/6Tw3P+W7CsDtJTU/db9PP8+bpD92wts/GP5gPxa/GEDaWti9J1AWPtE/M76cNQvAMFZDv8k9tD7AQPK/KAEKPxDnFUBSTJK//W37P3YXIUAMX9i9VwjcPsBbUUA/3LU+zRRDP0gJAT9PdzHAignmP9lDp794uq2/88cSvhwMgb/vqzTA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f01cd29b3763bfd5f9bd28a04663853d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hBC3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Oh9evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uJKdPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "S3SWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zEAFvguYwL59s+0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEweRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "rCozP2RSHb69mPy8QqNNvqfGiD8eJc09/ai0vxFLTD/RllG/9JRlv4Aohb4wFu2/eb9DvjpRVD84J9E/vlt3Pv0ggL98vZK/ZGhQP2CPpr6ji7w/Pp8RvwF3E78XxgBAHUo2vqlezz/N8hdA+BwPwLBCvT67QXW+NJzIPyt/k75NbZi/LsXbP2jXB7/+MwJABGCDPj1xBcCn0Y2/FXqkPv+K/z9UTBa+HgXmv0pT2T8v/aa/4zqkvwmQkr8qGLY/9K7Yv5CScb9RRArAes8hvynbQr/cHEVASmsEvzsJaz7WSTDA0AoTQIK1eL+ftny/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ef05043be9c5db14d0b2f0ec62de5302
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Gzfcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iJ9Pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jPfjvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "liAzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nzwEv8cRm79AwQW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "Bw5HP2v05z002aW9GXiQvpGIJL9AckA/puCMP5qulb96di4/UhqlP+jvAsASiJE9N6stPxMLdj3JYMy/QnUIv0IaA76dIdc/jVSuv5Nopb/4iXc98Ca0v5lbEcB/5aM+zIaeP5A1sT+S0QY/z91VP4hzeL/gV/i/tufbPwYGiL8+bsg/EcEJv+O0FD9+ngbA9hAqwCNyJb9s2JE+DNSxPwjqDUB/20a+BVy9PyvsKj+cEALAiaiav2fxhb2Wvey/3x8owLR+vD72s/693B23Pz3dxT+vNts/1L07wGijEr9Yhaw/MghcwLENmr+6LXS+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 337da193c63b2e71349ac063ed3e3533
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8DT5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jbSEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+fMtvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HOxdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "h21LPulgRb/saYe9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFgeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "lq4FPm7CUD5fBYC9xdezvz43uj7sVq88tpLsv5YTJr+r/b282pUNPy+Smz+zmQe+Qb4fPyBpJb/iRZu/3oHivyfHgD8jPps/72T6vxogkD/GIZW/5kExPySGCr+Nj5Y/1MLhv3itMz9G1wrAJlMlwJOmCUBWGIO/DsERwE4V5T/xf3I/JYqKP98cET4davc/XnWjPmeO977CcQ/ArSfAP1LpyL+PyVO/DNrlP+vbvr9NDiY/07/avYa9j78igdI/yK5HQK45eb8Sg0s/QiRYQDk8ib+w19s/QVwBQLWvEMCvZr2/xvHdP52IHsDa2JA/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c5e1c6e02eb1957a7ac31b03a2aac62a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nSAKxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "B2Bzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mNs9vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IelDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "seERP80eCL+8s6q/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFweRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "CWXiPnRMkDsqDzA9uJ8nv6R6WL/RmS+/u4szv6o9Rz+IRUE/XUvgv7X0br79l4U+vHLjvxD+uL9ggoU/MZQvwHOLAz7P1dO8189uv7UhCcA6Abw9WmudvWpVKMC3PRI/7j7Bv2XoOMAxpu++McIvv16sUb9ccQzAHm6LPwxjEL/G8zY/nY9Cv5Bx7j8Ne6A/EbksvwNJUj5EviTACTicP0YZUD+rC1O/JDAdQHIBlT8WzdG+G3NAPtJIqr9WBifApL7Kv6KqqL/NjCTAwLU9QIsoSD+tZi4/Tf55QBMXkz+n5Ek/4FE6QCLn5j9oqJW/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1b7c1c62f5500491ff82c54d9e6c6a39
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SD6/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZXJavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "H001PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1uKDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "niRVP6+Uxb5N22c/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "oOp7P+Rqo7xXlQe/rHqjPdII+j6TJvo+g14zP7UKtz5ANMK/i52EP7UTxr++vhC/Pwyhv+uXMj/vhkU+VEXtvwsZxD7lt2a/5FU1P+XcaD9UVd0/qsr+P5FTuD6eAam+9YYGwMZtrT/Mt6E/raQiPRLy+L/gEk6/ima1P97rFT7aSgRAAXmdvwpGg73dJMm/WoYKwGefPT9MtwpAIpXavy9cFUCz08Y/jLGnP0bL9r/qn9w+XapGwPuVvT/O4ls/ZpmhP3Ek7T/8is4/sZf/PxXj87/HusW/KzvjvLNDhT8cMiFAw5H/P0AlN8C0PtK/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: da5d2eecfa87e89c6169ca4e14f1caaa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O7IexA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bhWEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bAcjvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AWlfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WW5JPitNyr1388y/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGgeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAJAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "w13YPncoXb7tP8K9a2eNv34mR73IrM694u6zvzJ6az91Bpo+QhBRP7hN3L8IeBq+ouaAP/4asz5Ia5k/SpO9PuMfUz9UZQZAqmjJv/7Iir7JBLG/+afVv6e/gL9ClEE/yYIHQFJTjT587p8/KO2APoxfDMA6r3e/cWAnP64hGcB3uYk/d7MfwMOnTjsBGbe/La2JPw468z46eqe/caTwP0A+5r96hsy+3u9RP7YVgb2mqg7AQwc+P00F9z+/msS/yfAKQEYT0j58uJ2/S7wiPcXWJkA49VO/wViMvsmjE8C0kKk/FU+cP4UTF0ANYxzA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4a844de5ad4c9c2f97f6810defccec77
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LTjcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kKNZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZOquvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RMZDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WP9XP+nUVT7nb5a/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHAeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "DC1lPvilFL7vgoe+BT9rv5xEcr/XLU+93RXHPSdATz9I07i/OxKKv2vg/7/QS3y/r1WLv51tnz/wtvC/GbapP6ZpkT9RuQHAUk+MP+vyS7+2W+m+xpkHQNQxkD/sRLO/HL6oP+QC/T8jmSXAa4rlPkHIHD/fIoY/i/D/v2BnZT/yNbW/j9XQvtFkoD8xoaI/GUqav4stz78kXgDA2yeWv9Zd+D+JWS3AiY4vP57Pq77aHw1Ah5aqP9n5oD9X4HQ/R9GmP1dQnb/dn/k/DEpevjWjK8CVv3a/QLf8v6keI8DRKzG/EbSPPiFZJr61yFRA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aae9cf36f0fe576a9393d0c0e0cb59d0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RDH5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fjV3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HTnSvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Wu5cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9S27PxHkMD/NkiC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "BpeFP7r6jT2HxRW+ZdptvUHfgL9W7G08Bv5GPivXrz+VA8C+0lGDvkU2Bz9lL8y/etN3v7EoFb85K3+/a+2YP4DzCTxi8Nm/CNZTv+uebD+YkBvADbMEQJFohr0BL0Y/fWsuQHg1ID+P2x4/yoq8PqaB/7/WAmi+n6msPyVpd79vxwrAYTLyP5UXQD+QGwbAHaBOv/XU9D/ZdiE/23HUv8Uynz9P5T8/t/wmvySglr8I1LI/Kp3UPYQRw7/0uwhAfeqtvpEiA0AGUc4/lgqXv8ftOECJop0+QHPnv6zngr8uB9k/MtdfPz14CkBcPza/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 90e461ff3fbd1805b287600f94684f62
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YqHJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nQ5kvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cqd0PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PZyQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "64s0Py/dZL6coiO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHweRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "04NDP/BcgL6Vvdc9u9rwvpxtjr+eH+c+RLSjvwpDfb7gAfW+rOWMvikcWT8sFbu+lPyuvmn0kT06BtC/eV0Kvx0eEUBo0Tw5T2WBP98eGL/ajLG/Pf2SP1r40r/nwdO/dtPoP4eRMjxUN+e/ZSAyv4B/GECH4Yk/phNQvzABpz7jOCTAI4bbvuOKCsDxuQw+KlGYPmk4OkAAtpO+hTK4v8TLJ0D3UwO//QjmP3gJpru9eH8/RaUcQG14Nr++cW4/QDp4v5EsgL+GW/A/gfeDvzNTLz12iwxAxqaTvmqKwr+PxyNAeWT7v40Rub+mm/w/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c8e21a2c7aabb0d73c099d9d011b7d35
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O7jHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Vb5Hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oWdzPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "H0yCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qWrCve8bF79agRG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "Iht4P82vBr7iEKk+G1sPvpBrRz9aylk/D7nBPreYU78ifFy/MnOLv5g0cj9Oc4u+0bIAQLGjNb+z5Jk/OEggvwTHnT5C59s/ls0VQLo10T44jJE+gSWHPhJr3z/QXpU/hJ4AQDIF476eYBBAzD1kv0bQKL7GqJO/Ka5qvyuEwb/YjQe/+3k0QPDVxzzbWge/VvMdwPtzmz+8HgM+IymNv8DsDcDatJ6/t3gjwEOPDUCovBE/qrcZQHKk2b94x30/FO+EP++Pob9IWc2/YWyhv84zNr3RywrA41FIwNjylD+2Gj6/XOY0wMJt9T5JIVw/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2819b20080865be543c441afaaa2682b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WBK3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tRdxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4iChPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "E9Sgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uw/APnkj871osyK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "islcP2mxDj7aAgY+Tw1wvnq6FT/Cdow/drlcPmAWgb/bpDW/Nvaav3BOCr/irUa/o3g6P6k7iD/F15C/a707vhfXNTyqkeG/U38PQHj/fr0T8Dg/p2MOQFzYUL89NMI/s+sPP8TcAcBZ4E6/B7onQAqRXj9VBJQ/X1LEvySJaD628vQ+sTY9QEp5yL44+R293xelvm7uFb4f1TTAJo2rPkHJBEBsI3m/dG3WPwSVkD81WNa/SuP5v4QFmr/e9pq/fiipvaTnwT/149E/f7SNv0OJyb5pQ+A/ZK5Hv7Tfq7+kz8k/eJUawC9CWz9t4wg/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2b20cf2de9c535fc2be5c6b7289061f1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eS/5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qI16vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2o+UvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rftnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7uuIP18kPL8XDgS9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIgeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "1HzAP3dQ7L6E/wq/bmIWP39HsT4x5+Y+YPY8vpqmaj97I0S/nnI+P8U2Ez5vmN+/+fuov10b5T3soZK/RCpmvktc2r4Vkbw/bFfNvh0r/j9iykm/FGkJv6JsG78TqAjAv/sJv9wI2L/1J/y/ys9kvx16xr4rdUnAOKGTP3i9kT9P+XI/cHu5P+Gs779ZCgK/SYoCQDw9DMCFTjk+AsIiQK3v6L1bcAC/S+OqPwbmFz+rviLAmW5wvz1djL+h5no/zUPRPtZLir8TyAVAQdaAv/516z6nThpANTR8v+lK1T/FZxlAqvbQvylttr1xoUlA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 847c38c159d6b33907456df6b1c91475
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FJKuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YDlyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Kh63PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OuSmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "04euPVPQnb6Yowe+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIweRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "7Ma+PwD7JT/odBo/sqDVPknObr5D/vw+W7xZv/hkxz7sb7y7VgmHv4rX7z/2x6i9wdcvQNwELDxLyf0+AVLIPvEEgL8XeKM/TDY9vdYgE7/IH2e/wkIUPwmxsb7JI+G/eJGUv40az7/wDVS/RNX8v3DTJr/xacE9A8LavZjmGEDPpn2+iQK+v1thEEAD81k/ktphv2ySJcB6ycy+qc44QFEaPb/L7qQ/kA7Uv0mt5b8SceS/2tvevyzBCEAt/2S/bYINwIEygb+8Ho0/W6M3QD3b+b5vh/O+xKI5wAXmn77JzsC+GbpgQDB9SD9t6hk/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2eea5800cf079e2aadd69fe7d73884e0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1+IFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fh2Avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Yr68OQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rkyAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wheyP9k9Gb4FoxI8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJAeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "XS5FPghafz1ptdY6ClqRv1TCHj+Bxw+//QS8v1XACr/JNZm/sXvfv01x0j/XtQW/pbGQvmd0oL/HJSq/bWKGPmMKWL0YZbI/SEYFP9Tfkj8CDgdAD2uvPlEjyb86NsC/e08ivj4Q+j+pq+c/N7PHP31/vD9s1P0/gby0PozVaT8sZEpANP8pv10fGsB03mg+23u0Py/BND9QvCa/q6WgP6iJNT/b1t6/7jG+P2Om4D8r36q+Zxinv6/WBMDZt4U/KCIjQJnYPr3p8o2+Wrp1PiY7NsANXig/LtWXvwIuS8CjmLO+LAZVQLPPuT7WFiq/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7022ba89d6dc1448fa751d6fc584f18d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+tbiww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ldZPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zczMvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+zw2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZJJxvsIXBj4j2yk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJweRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "DqFEP8mWvz1rNgk86MU4vuJPnz5jtnm/BLKLPuGo6r6ejKU/d56Fv7maI79sor4/5FOjP/DQRr9wWQxAyDQBQN6irj6K1+u980sFwN+aqb6CKek+H2TGv6Q74j3gf2S/08wgQGsbZD/JSK6/pm0CQIPx7D+V/M6/SCQPwPsUqj74DPm/1tIWQHpzVT5Ogw3AWNyyv9g0hL9WBRxAiYxlQPmWiD/jt6O/R9UwwMkQ6j6aXE8/7vUJQIJIrL5pDPo/5ZMGPvA7Iz9DfvC/1bWDPweQOL8Hx0pANWxOwCFeJD6Aw+K/VXsuwIIlmr8JB5E+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1002ef782f1d40a59f8d0c190d5c7ca7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oDL5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VDcnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "feiivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "K4arvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zTuePthkgb+e0sk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "Z1jmPsNr1b1yRYk9Br4tv7jnZ79IazQ/ow+8vqdykb8WTt4/tljTPs+4sj0Qrra/Htnmv5ZmL73gtz0/A2iyP/Q12Dr5Sfe/w9J3v3M5DsAB6dS8s0YcvxSJhj4NxwLAz8e3P6u+zz4gJ1Q/0AMzwDra1L6/1NU/89upvwh+AcB3vYS/hKa5PwfpSj5Ot/I/LWghQHpYoT/wT6E+cYuDvemjNcAfVKK9lnAYwFJBC78yqitAOAlUwHgKrL8m5LE/Gq0iQOqV3z/msEu/M0bdv3z2MsBK6QE/G+lhwMM3yT6aYtg/GndWQJlmuT8+soM/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 59eaed1a95dd6e711c337cb617aa7c93
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UabJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iGR4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aObJPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qtCIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wlF6v/RsTr91jgk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "3qLVPvjTGz6w+tO9ac4Bv057S79wsCU/8JnYv/B+i73RCa4/bS7QPmmg476srOw/RY2WP1767T6ILoE/EfYaP7XiHj8T0p+/Q7dCv3Cghj4YUCRAOrkqv3t05b88GHk+UOuGP/+Ikb9hthhAkwkTv8LnqD9rAzFA55aEvqofQD7dbBXA5VcHwBOiRz9tjlE/WSggwCJKQL93T88/AENOv7p1iD+WwCzABNyHv5PqZr5FyV9ADBiCv9lXC79HvADAVBISPzvXyb46vF7Alf2nP1Rhqj5EeHTAnFuNP/pupb9VA0rAaKSPvRFNKb9rcIrA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ce30b9a1f3d79af54d0640740bd7940c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TJ/mww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tYxkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LczCvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LzNMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zXWKPnwsiT9xWhA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKweRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "iu03P18UY74To22+IfrTvvbJ/j69fQA/P66zve+nib/fo6G/p24JvzAjsT7Ymd+/saVsP2ayTj+h1rW/EDSFP77h7T+yuY+/Qrydv6OFXj+dpPy+BS1bv0LN3b+Jhlq/22HGPxTaH7+9pbE+qgPrP63V4z7ySxvAoTUMPybfy7+Z1P2/puwJwJ9Ctz8myea++2QuQMa1KD9UDQjAKjQDv4qBOD9rEfw/0Mt7v3ErBz+FTS7Ar760PjsBpD9mBhdAl8EXv7gVDL/ZTjNAxCALv/Gb1b9gaxdAdp8yv/Yuub51THlATFexv0wdqz9iWA5A", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 23975a3fdd6d5e21273ae1a7cdb6e8d5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yJ/mww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UOFovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5sqguw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+dpjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "K/Z3vtxGE7+7uA28", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "C+tDP/W5oz6N4eE+Ct3Tvlfoir4xw6++MJK7v3Y3/r4BEzQ/kA+cPlGUAD8mGPA/c/ZRv0NhKD+Ux7O/rLmyPweLAr/yy8A/PyuVP4KjyL+IJ8s/OcKJv6hHUr1EuvM/VvQUP4Z6rj+SOh5A/7rhvmu7kL71FhzAy+jIP+Oxmz8FRXy+GDTFvVYJrr/AC7O/wCR2P/Dm3T96VUu/KoDVv0wV6L285jNAxFYawLKreL+KgPI+kXtvP2A2278fabK/ipsaQKn3cr4XJuE/Zn7PPg47sD272EHATP9Fv6G6DcAe5bC/qsWjv5giAL9+5UbA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4bd0187db38550c7e9fb65652e52bae0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hdsAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7fLtvQ==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uXJ2vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "liTPvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FZH9vxoXTr7bM9+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "l5y2PiuOMj9AGwa9U7g8v/OBrj+dGVi/mzvbv861lj6CSJS/4Sqov8CnZr+WuRy/wBXSvVBmPL+keRI+ANY0wO94Dj9C/PG/wWjyPipD379Xj2A/nVs5wAJ2tz/MPxnAzRVZwG3kRb7KGBDAEmElPxJ4jz/Uq7q/eLaCP5Jotz8V9m0/VeCFvzpVGEC08CC/maHovwDV7L9Zy0C/KjegP88BTT96ltA/vTE+P1Yfxj4A3w/Afb+CPM6sLsBmP08/OPGkP4r2/j+gY8O/uDnQPxXT17/J2d4/2YMRQDhDMr+hFgRA2lH1P0a5K8DJPQlA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1c3f81d0791b089fb61a8bb4488cc334
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tZXmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7kB9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LCpiPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vOWavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AOMRPz7oMb/oEzG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALweRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "s/giPyjsPr4AXG++PJxXv3BCGL8sM9C+eVL5PQUYcz+gryM/K5IwP4BytDw56uW/sUUJv7Q6WL/iUe2/BSFqP2iGur/De+m/AYO9PxHvur/hRcK+YZKXv5Bahr99uizAhw+HP96qVD8lYRrA9cWbvw+aPj/d+oQ97V75PtBY+j9H39E+5jWhP2G5EsAk6Zc+bscjQJ9HpL+ypdK+5I6qvy32rr/Ay0Y+qkeNPaJBOz8YNglAE66gP0lEA8BTYirAZT8VvmlXp75CORdA9uiEPwETeT8K7CVAL5pkv6Lgyj9Tqi5AedPYv9+6vT9rsgxA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5035157335b3dc280180ef56ad7cc69c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hU33ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "02l9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KlMMPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Tz+Qvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7yCqP0W7Cr9BZYA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "PEU4Pz81FL1rDrA8ZiCLvnxH+D7kTnC/mjC4PY/Omr9Oe0c/duS/v6CZcb7shDK/8nuev+1Pn791q0s+E68jwCW6DzxaNpy/kryRPXxOh7/Yse4/4wEkPsH1qT+OsFw+e+4mPw1CCMBwXhU/DuJFv3di3T+Sbqo/qW3+v8cb6r9l/Qc/gx2uv8iQZT9vV9w/9+BLP9kSCUCk5AG+3aYHQPmucr6OJv2+E4kIQG22jb9xnJW/PRwbQN8rJD9tR4q/uEk9QBqA4r6poSI/uc10QDU0OL+6TKc+xTy8v5fVH0B3L3w/RUdDvjKhCUCHBgpA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 32b265f42a70cc82e0f790c9f1517fc0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZKnJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "u7lIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0/gFPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8Ddqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HLbtPRTowz4fEbM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANAeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "r5MdP5gW9r26y/c9EocRv9HUfL+3gGW9LOX0PZ7GpT+iha68Nq3SPmsTYL9KJI2/WUHkvx9Jqr1FWoq+35WZvzGppz+Zk4e+CN9+P/gRF0BY+S4+NsxBvwzwFsCaZAg/WfD0P5RhDkB3jW2+CGxKPrr6N8BVHSY/TQfuP720275QkWc/pLSfv+USE8BXK8E/TsjoP5AyID3pK/I/FUAhwAOEc77jzAc/NmESwMs4qL4UWZu/Sr+xv0X9PcAN9/i9crHkv1ePDEAywvO+BWgeP/qUUECggsq9A4j+P7S9wL8QQ4M/P/YvQI0nRL0dXsg+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4f6422098518ab3a9a82b940ea8e266d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GxC3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qTJMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "e7+RPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "M4mKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YXF4vqW9kb43poc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "bZ1DP8/chT4wG3K+pSQgv4cVlL6ZNRy/N7mWPsHJoD544tO/oCHQv4HtHT/x4Y89WPVCv1nN7z8+tu4+4z8oP3Z9uT8x/BQ/CIYevr1h1r/oq1m+89KLv60fFkCFiLI/eMigPLtWpT+hRwLAjl0BwCO8/j2NAHc/HdqdP5Zojr///i8+13yjPrDw2b8rQZs/H1oWviIKib/3hPs/AQRbP3RUmD/3gMU/ZpUdP+BZK8B4Tss/yRA/P7z+qr4ckhnA6TW3vkP4JcAWO0G/icJXvyhxKEABKqO+IGANQDvvxL8dBRW9X9EewL73aD8ytgu/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ea3bf13732c694ed372c0d8db4f4b396
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iC/5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pMZ0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "weCavA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jGphvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gbJJPo+NML8Qko0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "O45IPvMpDj4HbKC8NsN9v7bSer38x18/43rEPnZomb6kgLk/1zgDP17yuT+ADS+/i49rP7uc0r+Cc38/skGGvjVezj/J8/y/MBMtP85Ynr8lsP+++aqDvXD067999IO/EYbPv/uLkD+PuqA/2/X2v+AlhD/9awpAgw5TPgMJEUC18n28VTRPPuhqL8C8TMM/U+Kuv6AwxD8zle2/ZjP/P1vT3r/u+pk/U2M6P7DOkD6d9RJAQFLMPxVdmb8TAIu/ClPKPxCqxj9tGma/fsHUv/StZ7+znDU/F3ZxPi7d5j8EqUPA0/kYP4SBY8CbLZk/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e511e857cc5cc399402c7a8d9f64162d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NjX5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "umuBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cAprvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2BRIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "L6Nov3va4T0Uy32/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANweRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "97QlPxpTQT2FMik+M0JHvsSuqj/Ws84+YMKbv2oLPT/iGR2/MKtfvgEQzL4+E4K/Ljciv85qyj+YeOk/kMbEP7Jg976DVEU/bi01v2rl67/yWlK/S8Wfvwr79b90igo+Fs3nPsB0VL6MNBjARVgHwMdPtj67yPO9gXGzvwOLXT/lkgxABoNlP8GdST/dgh7ArzNNvvUbHUAt5CFA/9KuPk6kDUC8bBY95SK1v7+rBsAW7c6/31i0PpJsMcChmWS/mfmdP7zedL9hQCHA87N/P8bTIcCcl16+JoeTvoTTp76UNkvAqRLCv1KStD9jcrW/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6717ac60c14e9c5533fd570e8c72d0a6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "R5/Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/ORYvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZkprPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "y9uJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3V4aP1gc/r5Btx+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOAeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "QDiJP0RkEr1kRYy+bHRnvDlkib9Uoye/iFkLv2hDhL+7o0c/khANP38nJ73iz5o/dkERPz15nD96n9M+wMfqvx3cAr/OLqg+qGe3v0pUJL9fr4i/uOjFPqeZ/r+uXou/JvPFv9MOlj5N8M+/9y8ovzdy9b9Xg7Q/pV0Uv8xaBECtVEk+2vG3P5VD6T+oBDA//YceQJHhE77i+ku/eS2NP3ErD76T4QhA38AAwJ1Rt78Wgce/DqAhQFy8DT5yhe2/k1Q3QIVHlb+7Wja/EBm4v5PbxD/W3og+1PNJQK4VBD+WUn6+YIYKv2T+IUAXXzS/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1547eb38fcc58fb827549e1218dd334f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PUP3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CvWEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+mBZPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KSGgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bM8svWO5Xb8ZHPU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "pNGSP11+eb6sqWu+HVBYPUvqpL+Zi9u+Iieiv8OU+b7xj6K+XsEJP7LobT9PL9U+ukpsvyt+Jz9j9iA/o+ljP28Hdj/0Dnm/T2yJP6txzj/wHIk/k+P/PYG6/79SktI+5hglQFQLLb/RCuq9Z/59Pg5O+r/IlNS/j0nAvmLiK8BFJdy/lqktQH3urL/Enjw/us3AvxLGur2UZ6e/jboGwCohir9ZMWA9v6W+v2oNJT+MTPs/DuTnv+Tu3T9k0nk/TEs4QILnmr/vjYK/ZwZWv054iz+8EydAbSAwwLGBwD+u3yY//fFOQBBmQT4r12s8", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 789766125ffdc78bf4fd6f018d08fd48
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EabJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "swh1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Di6dvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8WJhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9iPFPp2AJj9hcQi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "/FJIP1UqULzrHSg+CVqfvpc/CT/R8JM/WyVPv6TyaL+x/qQ/DirrPlIkvL8AgSE/hSAAP0hcYT6i6aW/WNGmv1r6zz/I/UU/3G/sv1scsr9x6tI/WJj0vioH+L1BX9G/mOqKPzPLrT8KFwPAGrjQP8edoLq5sg3AAiigPli3DsAXeQ++f5Dkv+0TtT/exjy+ww9Rvwl9JkAT/zI/r6sFwE6j2D+H/8M/T9nfPydhA0CrUsW/HByVP96l7b+ClK8/+POmP0uxzr6lpkXAKxUBP73M5T+JuzbAnjfmP/M2oz7L1cQ+NoU5PpwBTD8JhAZA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 35826fc1808d70c4bc307623eb0ea7cc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lsfuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZXF/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jLoWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wsJZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5IOePghVKj/35PG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOweRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "Ju4IPybJWj4Cw1A+fKVMv3SXtr3xVwG/avzCv0XLwr7b5Yo+Ad2bvyADjz/DaZ2/ZoSjP7BH8D5vyBO/a52Cv8t79j+IrSW/mYwrv8F4nr+N8sK/FjGjPspIpz9KXIc/D0W/P9iW9z/uzcU/39uIP741gr8THW0/Jh6HPlIuj78HDQbA9HIOwKZdjD9omKy/jmUivzkrDcAU8IG/8oDkvx2YpL8FAxnAzJMJQO+pD0D47Tc/bDkDQK29oz+uQA5A+TPgv+Ee9L7ojDrAetyVP/qcNEDH0QVA81eoPzlo778NW4I+UP6ePzSKi79ZZgdA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ab10188d98bca385ca70dd29977dd56b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eaXJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Fyxlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MPaePQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mFOavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/by5PkhQvL5okb0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "qwp7P9C9tb1vPtM+0TBDPPkJf7+/jJU/6rCnvwWGML+5Dvs+VAR6v/d5mzxz2kS/injXPukLOj4I0Fy/DabWv11TPD/nn5Y+ZQsJwI16sL+n4hk/0LLPv8ld0r2FZgfAbFiGv4K0rT87hEw/F7rfP8oDgz9SUYo/nNAdQO0RMb6sh/U+ycyMPN3NS7+tmw9AaR/aP9mZjj9LUApA94ybv4gpdb8fUyrArEQ6QCh3Z78PpJI/+iS4v7n/TD8sFi3AhgCEPjCDA8BP9II/ylpAQGjif7z23OS+SNAswM1BZ75o9v+/h93oP3cW+z9Rtwo/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3ccd45ee9b424a27b98629207e636b0d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4qLmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ukltvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yvwjvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hQljvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jlizP70A+z70FRy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "DiwkP5LRJr7EMrW+w4IGv0V6i78ApS2/KOLcvxZXAL80ErM9hoF+PScekj8+shI+O0j4P3s0Sr4P7JC/6ZHxP2cTM79585Q+67n3PzOE479EYOU+JxsDQFiyar/J+ve/Elu1v2A1az8o4do+gj50v0h25T/V/Tu/p0QdQO0JiD16A6g/YWcrP1Uc3z8ghk4/JnJaQOVcgD0MX5k/It+7vncNCMCjhr6+765Cv1KSjb+y7N+/eYP5v743sD/CH6A/DOItwOqNjr8CpM4+mU8cQB04QD99p6W/MDiMvyPCtz9Q3t+/5fmPv2bDNkCROxy/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3074f9bca309389c1351d5fd47ce7523
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GBDUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WKlwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VAJivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wyg4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mziZv5YE6L4MyC6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgeRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "X9swP78Ytz1eqBe+hVYOv7HvFT96pHa/RJa2v5ogjb65uXI8ZfDdviEPLr/Tru6/3/dCv91pzj9/BaO/3w5XvoL4lb9ZRM6+r7FQvFglDMBlJna9EjckP7YaT79eozvAd6i/vzUBKT6Vjbg/oC8ZwMC6F7/gI8S+/JnHvt8nFT+UZARA9KtaP4dgEz87naM/trL3P61hbT+yk9s/NhGzv0IYgL/BjxHAr3AdwKG0Cj561fg/QhvRP7ibAb/13SXAxz/UP3Ay9z05yyW/6io2P9tE7L9uqFHA/xK2vivTaj+9U0ZAc5TGPmFBR779TXPA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8755ed8f04ddcd58866bcdff6cb3283c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eEn3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Yk5Qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wK6mPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OiRlvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yVkoP2xDJb4Id5e+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "zNmTP2VY2TyS4Sy+jKeVvqci+j0JaiW/7tOhP46gZz7lxJw/MsCnv//BMb4ap5k9+zmLv400E79ysrY/IzXHP6VzeL+H4ti+83nzP5Vigj980U+/5xWQPhXYyL5G6ABABobbvpX2+T46Lfq/lkhgvpAZ5b+1JeA/+US3Pq6rez+C7RXAb7s0QEYaaj90sg2/WgXfv2olPj8PuiDAA+L5v7ZE075nBwRAV7QXwCpHEr6ZGBnA3k8vPnlnFsAc0Wg/tF/2voKFGcC8AidAc7HRv4HBdz8bwmTAdXPKPjGZhb3XnEJA5zkQwNu7yT9MzwDA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 21cae8e64c96514eaaa312f5e64a175d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qcDyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Z9d9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "svN2PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ksqdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eXWuvhE2VD8xscm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAgfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "uL6RPiOA477xNec9UoE6v7r3yD7u9ig/KirBvjcD3j8wq1M/HZujPxJmGr4cBfc+e78lvYvZ6r96Cig/td4UP1a98D+Fcak/gNxNv0rvMEDnQEG+jWJ8vxx9DMDz+Gs+jsO+v6/qKkA+c5Q/CDCWPvYht763FbW/6y4fwB+8D0BMZpY/dokfvjl44r8nRd8/SUCov5xpXEAZ9/I/lgB1P7PwLsCGrbg+RLeuvykGGkD6oIW/j+Ynv3CwQ7+iLua/Y6auPpmEMz/OA9q/Syi1P+6uib+Te/K/eNIXvgipZkC8k8i+qsKzP6nYhr98vjbA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f4b4fc02803e24fbf95946e5d0069c81
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EAy3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0xJbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2SWKPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4BKQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LPEAPllM3D4zFgU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "/ZcOP26OdD6fL1C9RhclvyHMPL6DQmu/qwntvnWARj+U7YI/Ku2IP3R3mL8SQyW+AxGdP5sJzT+83yu+/1cTviHFz7+C2Hy/8CrUv+AFhj4gbC4+WqWoPRgXCcD0hMA+lQEFQEOJvb8fpuK+BZMQv0zZ7L8GW5k/PJBdPQI8DUAsGys/5HMovzPTMkCYu6k9Fm2rPrquTMBFXLs+C5e6PkyWM0D6UcM/SykXwHRkhD/PsBu+2H/Yvn8hAj9vMgVAVcpIv4OKOz6B9fe/NG+yP4Mc/z+OgZa/UCsLQFO30j9MvcE+dPkOwAKPDb8TxR0/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2c061d950a1c7fc51f30452faabec599
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vBO3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AkdSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "M4ekPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6Ndmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gueePrPNvT7cEY4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "nkRCPzJLjT6SPSA99rUUvyRwob7UYOw+u7keP9AZ4z6vire/jdjEPyUToD/QJWU/LacEQJxuDL4zais/6xcSv7stCLw7geq/VCkDQPKTVb944b8/YLWxPxy2Xj+aPwTA+Cg7QFY1hr7i6CI8622wv6/HC7+ftUa/eOjkv7e5Aj+bfz8+I2Uhv1Oisr94qcE/SILTv7xMxT+5nQK+lZibviLNgb8LKB9AKxmRP+l1vj9o2e8/PqgBQI1mBUAI380+zyBbPLAvD8AFCJ8/zuB5vy9oubzQfDXAolItwLGzmz7cCjo/oznTv3mb4r/vvM8/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e87e4b4636fa01e60812af859641ac38
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ODbcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qP5xvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bjVrPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AmaWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8x9yvpQwi7/H166+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABwfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "EJmAP2bwZL1kTwa+kYGrvoPEG7/gETK/vBAnP7CVrT/MrTI9flxXPyOKdr47tbI/A7oRQNRwnL6CimO/2DkBv9FDKr4YMdi/YLFUvrd6WT8CN44/9U4fQJpysL8LQW+/Ii2lvywHwD2Aaac+lH7mv844Jr+BB3U/LjUNwPXDgT8StWi+Vxw2wLoOCD9nuEK/UY4MQI+anD0nr/S/o9TVvr1BBMAmqSW/WUEHv58nzT/GJeo/xi5DPgujHsBCoay/AKetvxQvGMCmnGC/Ar5HQO82Qj6MJc6+r4UFP81vm780r+I/61rZPzGrGj568vg/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f44c896b3aedd1f59f4fa1c713f5a832
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZaLJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AadXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EeWLPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xcyOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2PAMP4XrEb8KEfC9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACAfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "Cn6IP83msT6xhKU+M/5DPgACOr/IPzs/8i+hv4yrer64rTU/MPe8v4vZVj+rgUa+cfFRP4XPKj/At4e/z64lv4JvYj/DMKi/YZYCQHH5Hz7sngQ/GZScPlgEA0Bq3rO/lT6xP+Hh/T0fwui/DcSFPnmvMEB2cRe/YmuLv7Py+z6Anw7AODnFv50KGD54ltg/D0z3v6GBir/wJ/I+62UBP9PZCsDBUcI++xMeP5nV1b9zRec//gTOPzPAxb/VsA5AEoT/vc10/7+p2iFAxpoHP4f8HEBIqxjApq22P73GF8C1CSC+L/qfvlW/NcBWOwo+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 55a7d0eef3ad925a763f4141f22a9083
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z6fJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RPdsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qdykPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zLKfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OPhCPBY1GD0BGM89", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "IuSdP1yOAT/0rks9wU2PvZ/KoD//7Ko+i79XP5Bpa78yKyU9vNGEPy0TRr5JwJ2/uhQJvwoUhL/FLis/wGB1v6xonz7B73A/zLfFP7Cw3b92WVI+3mAwvk/Iuj6St/G/uHOgvxMPv789jdm8SS4Fv+cd6r9GzPs/I+rTPO9DB0AYb4A/ksFpPsO4tr9eACpA0V4Tv9wrzj/WJom/lYgNQF3aZj+oBZo+51dMvcbJH0CA27i/n615v96Vwb5UIPa/WfCyPa7tGz878TrAHGSWvmt0OMB6FOM/5L2/vxao4r9z3xxAtvPSv5uR6D9CDYq/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e09746b84ec2b880095d04033301f1db
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Iiz5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yZJ5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Jy9yPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SQ+bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+3kbvwdCMr4Cmsg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "BSPBPv3p/7xmdiU9fEFWv1A3Hj8lLzM/wtYXv88vgb81bzi/Uojjvzs0oL6SRoG9OG2svZgumL4zgv2/+QHTv1s+1r6w67c/7x49P/sFHT9L5Jq/qBQuwJVrmr3h4Aq/40KZvyWUpb+u+vI/HJJ9v8e3/D+a3Wc/+3EGvzsqBsBGpSy/rV3PP7zJu74p4FM/MMuvP/utgr/LpdU/18oBQFwCEj/lgp8/eYxVv3NJbT5nCCXAdPYkQAX9hL/YxxI9Ti4qQFq/A78CckW/taEewB7bwDtW9f4/SkUIP4Sea79a0SjAef8uv6NJDEANdOU/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6ddf7c96e85de27774e0be320af21574
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2KTJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fh5jvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JsORPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CACWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/bwpu2u37b7eWbs8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "UOBoP79uwr6QULg+2WQmv724Bb8LDZk+L+Q6v97nQ77YpOg/FpaKvwRDFT+lHgO/eTSmvxNM5791VjG+km4JPSsqnD+BNoi/o+JOP4NcNj2bnew/sZWlP3fjND+R4Qq/xHNtP6Vd4z513/q/Kz+tv+oOLT9QgQJA9NgZP4Q9Dr+H7Q7AB1SIvz0whL86bBtAgQndvda9EkDVwJO/1I7IP3LObz/r7CvAGSVxvz0SKsCa7NQ+fl+/Py/ko78OoSQ+iviJvzHU/7/GCp2/fwWOP898ij8/MABApHquPw0qFr913CJA8K0YwBfD37/ac3i9", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 43504f5cf583c57d4dd342569ce998ad
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5DX5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vLGAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WdppvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4uxGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "a2XCPM07Hj/LufQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "IiJ2P+Hmmz7mg7g9pM4vvlb47L5YeVM/pykFvh0VgT+mOzq/FXqQv3q7nD5JGas98hBJvnuzFT8JLQzASK85vjaz+L9p9us+xflKvzZ2GsD/L+y+yQphviuZAL+04RHAS5gJQN1Ytz7X3jQ+MrEqP1S0eT9FJS/AHe9RviAKIUBeYAm/CbR3vthphb6FfRVAoeUcvnBSTD+xcSVAB0frPktdJMDWhI8/I/8RP6RGTb8pDTVADBGZv1EEIb8sTC5AHDIxvrYtMkAWjgU/rqmNv4hUfD+URinA1KAhP50rQEAS4oW/jcKRvz5VOUC4/XW/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 11270d643e53ac19b02acf1616501847
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pp/Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SIpovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "C12JPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Z5yWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wCHEPhAGjj6yRom/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "bX5bPwvHDL7xDPe96TflvsbZID+v430++7mrPYaYT78eXKS/XqkuP9S6Sb96uKI/2HMGv9grybzN2sM/1wb9Pgqg7r9elKQ/OCoKQFURCj9fLPW+50S8Pw04B79yfv4/bKkDQPsAkj+RwrG/IWWWvwwKvL0mtWy/AgsgQEdwmT8KBqY+3HOHv16Dxr8EETa/Mf35Ppa2iL+2ahDAtq36v5HGoD5SFce/x5U8QFyFTb5AIym//xXGv1tcAMAFl72/2HMavwLwB0DJbJ8+zDPwvnrAJEB3XC2/KE74PcIRJEAeK4A/89bNv6A0GEBsaCo/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6dfc0e3f67b76da3f0cfa75f51ff9f91
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lVH3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "K6J2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GeaEvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aAVmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "h6dfP2Q7nz6+9sy8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEgfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "I7RWP95mbb2eWji+jVXZvmQOHD+OUj6/UlnGv+3M4r2T08C+BaF3PipVgb9mwV8/RCWdv8kZj7/iCwY/gwXqP7CyXD86jLg+Q16gPoKJGb//NvE/21IQQItSrT+/itW+3vC/P4keWr9+zai/oszlvjXy0j+V3rm/BzmzvzQy8z8Lhdy/ncauP7x76z8c5qs/20MzPz3t/7+NZmQ/JHAEPybxHEARg4A/BnGKPzbOqz9ynBFABUoDwLhX8b88/2k/BJEMQKV6IEAgWco/pWFRP2UZzb/ZSd2/U6PkP549Nr7PVAjA0xkZQNU5rb8e22+/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2a0243721403b2d958418d506abd0700
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ixG3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AeBYvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YRqGPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mfaNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xr/vPvm9jT3rxVA9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEwfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "3T6oP+OuKj48VEY+hUenPqZ2sD/ra5w95xbOvr2rcT/nt6k/tlDuPp30iL5PaLM/sy+7u+q6wL/+zBs/n7NvP74Ckb8B/w2/BSsMvzwEmL9l5US/wgwTvyOYqj9k9JK/fAyxv+yt0zyJNZW/mGVhPWCHsz9f3ALAsUQPwJyc8j3Xrvu+7G1RP1Z2FkB83TU+BgdDvi6zHsDzKoY/0wUYQDWCyz6qPI8+lwGgv7NwDEAt2pS/9p9nP67y/r4F8RdAg2zkv5GWDr5j9wrAC5rRP/r44L8PN4y/mGFbvgGbyT/sQwZAuRFcv5+5BsDksaG/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1f8fddaff904b9a52d212270b7ba84fc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "linBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ag98vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8u9zPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "f4Wcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NID3PUgzdj6jBoO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFgfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "inTVP6TSYj1z3oA+muIxP2Y+ej7NnWi/7woJv3o/A79vzMG+QbJgP9BYLj5C9LY//3zjvhd2o77+hJU/ew7cPsO/pz/wAXW/1Sravrjgyb8adRy/EEYQvz9Spb/gT9U/o7Dhv7zaF74CM3q/xTjzvwqvSz8rrFe/Ha+WP6swY77lrRHAvrgJQPA7b7+IyUY+PIm6v5NkKD/0jN8/Ha6tv3Lk0j8b2qQ/gQilv2BuRj/4czRA/yEdQNnkTz9eU5k+bXkewFe8lj5MO8s/7wK/P3Oaor/Ukg/AU5MBQC+uvj7bZijABN2+PoL0Cr6jyEDA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 59906918cb3955abc424674efc700fd1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jb/Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+1hhvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zR7oPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1Vx+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "prhSvyI3g78NjoI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFwfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "VnxlP7Uzt73PgpY+ULLxvnuzND5DP4W+XQ4xPzPLXr8EhMo//hQxv97Uwr/wCrA/cI0pP5ItNL7/VBtA3bS8P81+zb8REuM/8YKtvz4PFr/qcvA+j+ouv9CXgD8WeZq/AEwDwHx3lz/40dO/FKEBQEkohr703yi/JDsuwPD1vz+0Hle/pIAewL/3hj7NtgXA2qMFwAvk+T8xghvAcH8Yv11QIcBkHW0/Khz2P0WxcD8wLTY+G5ASwM6wQb98Cgw+IT+gvwxH0L9ZuxNAYMnCPzCZ2D9HH8W+Tb3lP/x+M77Xzdu/0L81QKMpb78H782+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1c5a7db7ad90f9bd8bce4e63ab609116
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EE/3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9UmGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RYKpuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7KODvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "m48TP6D9EL+0yBY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "Hb0OPwDsir5JXzM+iS0cv10PHz/0KZa+XzrFv3pvMT0qvJq+5HDcvvWYcT9qlKm/yri7Pg6mSL/KXM0/YNS8P7FGpz7CDwk+ds1Lvx7o5z/8uAI/pnRJP1vftb8C4lW/hR1vP5dBfL/wQOq//4AGv8vptL9HLNg/wh7JvkXME8CTs2u/B8eov9oSQMBuzXW/qq6jv/xe3z+Qk7I/fFH7P6pbCsDYphS/9AiHPjaWVT3XORNAqLWdP76Vrr+W+fc/Ome6vh20Q0D84Cc+U2EHPvXiQ0AiJlS/EJ4Av/angUDGRFc/2pnqP8CpLMA3bFY+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8b356ad0434e6a9cf3933321f0a66860
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ODrcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MdJ7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eQPMPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UKmKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1SE3v1x3876srbg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGwfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "eLRpP79hxjy/K1I+kYaTvpKWWD/lXyM/U+hsPnY3cT9DBka/srbvP0Hetz5fzxc/RFHOv0GJFz5zDFg/QGtOP1Cqsr/C+/E8T1vXv3ITO78cl0E+/jCyvqSR8z5kr8e/CmdDPxUD6z9q3om/DaAYvaLv/z9Ub8s/w4NqP6lfH0C2ELA/clQOP6z/+r+vsVM/kX7Xvw8AVL5Ea/E/SM9YvCff0z+MTihAol8pwOKUij+tog8/OdKjP938A8C9c4i/QgLgP948xr8bnQPAdxCVP4g3SsAfwHK/dVhVv56HL0B3vr8/A2FfwIY6Lj8Qc0k/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e3a1995e4473cafbe83f1172e305fedf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "y7fkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "g4qCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "a2CrvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+ahvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jgZAv78rjr+xFq8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHAfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "l/oLPz7Qjj66FiY+KgELv2yTRL/0bSU9/qOGPY6Q2D/jpXK+vQNOv+Ty/j/nm7U+UntvP4tZmz7vy5c/RDXKv8dgY79LPYE/eA9+v7ssl79Xlq6/o+w1vhmBCMA7+BG/jUKPP/08F8AMV4O/7xixP0ISEry5mvS+LFH6vs04M7/TfwzAvzAvv7jxPsDXv/m9KNqBvhr42D91V6S/j8GNP+zTLEAwZ4S9KO/4P5/cXkCuZLk9up3SP+A5LcCXZZe+DeoCwGthsb8ApsC/iC7Pv6Z5L76ifwNAElNkvyUpGz+/KxRAcGcbwDsyqr4eAzFA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f08622c57d8869b4ae34198f1df531c4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tN8FxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pIqCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pfRMPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OSmcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vt6FPxrdAT6uEmw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "BiEiPxgtv72jtRQ+SKfzvo78Pb516Z0/pCkMvksvhj/6FhW/BjOfv8vVfD/vTQQ/D06hv9Lx8z9MrI4/XtyhPj7ag7+Qjmq/USuhvth/6DxxjNq/Vj8gvggkKj2wQhBAtGMFQPk5vb0OBgc/OdyWvwuis7/dtp0/bbsiwHZtKD+bl+c9JUasv8LVXb6Y2Py/CPJuvxj26b+N8Mc+jrGOPjXeaj40mCbALcgrwMFUgb6M+tU+rsUNQK94Bz9ixLY/XASZPg3rAEA9pFO/yBMYQFaLj78Y3kk/Q2M1QMwr0T6XuRC/efFwQKMKYz4FvNO+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 399c647ba83670721a4edcbd5d3ae2f9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IZOuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9WV5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AYqRPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "exWhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "F9Tnvr6fWj7IJKM9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHwfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "gORBP7WywT08z888ubKlvkRmjb5bDoG/kI2ov1UpMj/VYIe+YP5FvomHjD+DmDE/Teg6vy9937+FR4y/aTgyPSF7hj5nBRnANQsMwM/fZj734lE+U2rVv++1wD8WeWi/z5aaPlvG6b3Zjbc/jn+5PMwLBkCu0Yc/a5N/v+0PCsD+KvS9DKXoP7DQST5T0De+gnnJvm0pa79brtc/LoO0PYqPFsCp3r+/YA3Mv1KS779/AOG/rqyzPqXgpz/yjhXAMz5fP1Q0nb4E3DTAWCypP1IVtz0Q0RdAJAFPv6q7RD6c1kTAa1VuP5H2+D6VGEpA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f7a0c58f3e01414e9cef85a16a5a7993
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jRa3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "l+Ffvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "++uVPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ymuVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UYP5vo9TtL0qAMa8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "jiGTP0pCYT46oyA9/7dxPgkVtT++e6q90euAv57nkD/XK00/Rj8wP6e3Ib8Uto8/6Z86v43QYL7Gyrg/2wLuvtJwub/b1xY//hbxvuYjrr+PJm6/DBKZPcZQjz+1ZMu/4NmRv9Z80b6MiRtApZ8aP6aKlr7+lqK/lxmvP/w7Mb/MzPi/j6q5v3XPi78Ps6u/XcGzP9PgfL/Xbu0/U2H3vx6kkj+0Mlw+BcWOv+xK8j8xRso/RkVuv6PimD/7jgDActxDPwtB2T/TKg3At8o1P0FTF0CQ0jc+e/81v4jOGcCcjYU/dmZTvgFhFcBQS62/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4cb78db296d6d6a1b74ec2671b1f41d4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sKHJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dVlcvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ODB5PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wlKNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EXCIvjF8RD3KbNC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "6afhPgP8Vr6rWyy+YqvqvuWIiz+eYP293wMDv5YHTL/XEZq/QEdAP0Lpar9mNos/jD2zv9Lo6D4ffpG/+4H5P8wnIr0wP+O+tGXyv20AYb/nLyK/GEMKQDyg4r5SaIQ/eb3zv70Zej8+cvi/mLtbvo3Drr+57wTAGHhpPs0kDb86ffA/Ap0VQOxtRr9UbJO/LDZ5vxs6vj9x7JA/QwISQL69dD9emD6/D+oBwGAUir/Ssto+k445QL2ZnL/Hap4/9ukowK2Wrb9UT6G/202mPZyZ+T9uCwi/f6UXQJTE1D6hi9c/KhDnv53Igj/l9KI/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aa4b11d00630094899eaeb52f32ebe9b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z6Xmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Snxuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oDRUvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ADlhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qpqgvcTrir62+Ew/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "sUsiPw4+Wb5GhAq+l0EHvxzCDb4+RFY/fxjsv9oEpr4TZ9Y9jyC2v09Aar9/BKK/aIPPPmrMpb/vsm4/uzsTwDIfKT94zPy8XbXxPP5l3b4kGr2/sGq9vnBgcz+wudg/iHcGPz/VHb7jzCLA3asjwETFc794SyU/A9O4v/+vAMCvbKG/H/DHP+qYbD8Qpm0+/26fPbvMEcA/6Bw/20x/PxYHsj8UpM0/SQu+P6ug2j+bpAa/oiOAPwV0HkCTnN0/8esCwFN5Fr+1VQbAC1AnQDlgJD9z36A+UUuQP/yZp7/Dyt4/kZjJP0JxdD/+lRtA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8f999c57de6379b9a621e3963e003529
username: gastegger
key_value_pairs: {}
data:
  {"energy": "j5Ouww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "w2V1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/WeNPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4Qyevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "i3F+Podti72MSio/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "TRfnPpXxir1BDvK8mM54v4Z/Bz5ebg+/RgPrvmxpVD5GbvW/NjO1vxtAjD8js4m+dKVoPz60lD2KvLy/nTn+vy0Qe79WOMi+WzJxP09ig7+ewYE/WSKLPzPK7j7AvZs/f8KGPqfDlz+8uBBAIPwFQN0gXD9DSYs/cuMQPky0D0Be3wBAeZVPPksoxr/8m84/CnHAPxTmdz/qhNm/ClGzP05nTb/AhvW/pzPGvwtL+b+sIie/B6Y8vx3gPz+CQBZAvgMWwOVJg79poiQ/H/87PyMnkD/h109AYV82wPadTb/h+YS/1RDqP+Vpzr8CBUs/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fc916e3b7171ca6b0914934184254d44
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pKPmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pyRrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PFCnuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Jeplvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hlV8voofY70CvLU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "kU2TPwENYL5xd6G9OVQ2PhawqT2Up5a/hTVvv/mqT7+UHw2/OpeXPh2lGD/zeBDAOU4UPlGJpr+7Zd4+B4wEP9xEJ75Otag/brQBvw7SVT9Stuo/OWjEPleIFcDZUiM/9scgQCKlrr4LdnW+7VEHwNKucb21nYs94pqkP9kj2b4z2gJAMhqgv0hzyb9mNqK/AC/Ov/wVlz/NTlI/Cnycv/EM8z/2ILk98NWiu2oR4D92vApAfz92v54nyT4Csy5Ae6kqwGrJOb+cCD4/QOEbwMVt1z/o8qo/duczwOdXeT7WRzi/9zM8QOzb7D7TtpY9", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c3e1a68aac9321c22fb770b15fb27343
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5CbBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fVh/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dxN8PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rS6fvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+Q+pvY82jjxDxbg9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "+9WWPxOEuD1npAY+86TAPLRtbz+q9Tg/mo/IPfpLaL/SEs++oB56vws2OD5xaFm+c9tEvYnl3b/wWZs+4LiIv5O+Oz96jpO/NtLqP/Yhor65/mc/RvX+P3ppST/DsnO/VD/yvbIMID8EYQZAcSdov4WDiD+rohtAdN1GPrn0sL+gbt2/CFYWwJg9Vr4iP58+/NZLP1+ECMBcrt+/px8RwAIyNb9WDqQ/ppjAPVxRAUAixhE/Bfk/wLcgKj/Pb9w+8iI2wDVNZb++KsO+4P6sP9mEnT/TFty/RwQnQBJYyj96aAW/YtspQImeoT3Nybq/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 41b09d19b13acbbd4eb30439bcb3c291
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AdH/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ccxyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "u9SIvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2rFhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WMoyvcBbaL9Bn5i+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "rpRDPl5y4j4HW0e+X4OGvzdwnb1J5xC/QikDwDxUNj/++/W+H1C+v8YL/T/86os8XTXNPNpk4D+0y2w+Tepgv5NDwL88AoK/OFX7vwT4EUDBYnQ/QVHTv+5xMkCEPDO/l2BgP6W2H0C/4ig/RsWjP1jbAb8KgkK+PhETPxqU67+wvh6/XiYJQO+qEr65gT+/v7/Nvy3wCsD5BA2/FICDv0L8yL/dRQbANptOPyuoGcAHFD0/nPpBvdLMJMD2wqA/1FnFP4dcl78B7ZY/V1aKPyhPG8DJDLK/0FqPP/v7Jb9PNwJAOzQmQOb2sb/evLA/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e697b19f1bdb145613c65fd82ee5e0ad
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6Kqsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VKlZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rkaWPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VmaSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "asELveyjIz+BQ4g+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "2j1gPzbEuL6jahq9K1EivQuD0j6RcGg/51E2Pvhntr6VjbO/te6Hv+0SBT/v+JW/jXPFP9x8zb9tPL0+V+UVQNU7xL779CI+Dq6rv5xZsz6A3oE+MJW0P6dV4r9wvK4/0PLSvVaxsL9PNNS/08UUwNY7oj/7iUk/GIL2v4GOXz6bv+K/Gv4AwBr6FEA2FTQ/H1MgwLKmhj+YIOw/Em1RwGIVkz9K8oE+iR8wQEy9Bz5SM4M/fEJXvxrlyT9Qm7W/RaFQP8nh6TzY+QzApFWjvU9ovLya9vQ/ZniiPodwuj/UqoE/mX5AQC/a0750FjO/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9f61e74c3891a599e787935fd33464ca
username: gastegger
key_value_pairs: {}
data:
  {"energy": "v7Hkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lBVzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "z/RSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZOmTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zqUoP02+rb9uo9G+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "BNhKP01NLz5D2349usHrvlImQb3HGWY/oY0aP4CTAL/xcKO/Z66wvwNVZr//9Kk9oL/bv1Nk/z5/XbQ+5YS4P15cuT9iquM9j3O2vnDIjL1ashlAV00/PZiTYT80QzFAk4MIQIcmoz769yQ/OlXFv6EkhT/wPf2++WWVPkS4YL/XLTBAnXM1v1iZmL9wg6C/GiECwORy078msQM/fvUGv3vnuDw4wQTAIplfv75bCcCgz96/QqmsvxnHS756iDVA3x3MvqSoZr6tUUPAZzG8P/cxZb80Hea/Y8gQQM9WoD5Vtdw//QtAQO4tXLxVcpg9", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 84d3985b14e2b3318091b53f47116cd5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dkv3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bjB0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SIyePA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/ACEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+tXsvoEEBb+lg3U+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "sBkyP3FBkD1tE008oW0Xv0cvNb8t29o8Td3Iv/0mmr0QE0m/ZeW4vxYivb5KhQrALnPOvhWa3b/LGKi+J54xP4tItT8RESm+dleVv+CVT7/f8bc/bqTDvxMvPD4tVt4/TObovWij/T/Web2+00ABQPpzj75G3Uw+01saQN6Aor+cg74++MS2vq2VjL9k4wdAoR4NwAm14r+xRrU/ekQqwMHV378TyxBAMaYuQInebz9Fm+Y9k+H1P5wJ/D9IxPG9osFyQMjdjD9nh00+b/jxvtg2WL18TSTARfbIv8PhuL9kmBbAIiwPwLmNMz6EiyvA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a3bab381305f1631623ae57e8ec6ebb6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SybBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+pyDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JCt/PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XoKjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "y9bqvjbIxL60H/m+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "HnAMP8Eh4r2Ephg+jLoLvzDcx72PB3i/NlwVv64dzL4Gc5c/JPzBvyTJS7+tvsQ8khikPykkmz+Zkbc+rHFnv1Ixaj+Fh5e/DN3EP2YTor/qr/C6pO7Dv7n/8L9EtQW+SQmjvgfjG7/DOPS/LJsMP/PpAEAxIQk/AU9zv1y0BD+ptNM/kcM0wCaek74kMh8+o51WwHsHG78RdBW/KoD1Pyo5kz8H4Z8/Gn6DP5iJDcBH9lW+jNEJQGQfxj9hdDa/T+LFvi9Qkr8jlPo/69gHQEfjsr81WWo/FtPOPwjI1z81+r+/jR4PQKtciL9fnFG/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b588f841f90ba931a0d9e3b2c6221566
username: gastegger
key_value_pairs: {}
data:
  {"energy": "s0z3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5V9rvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LPFAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "miM7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3SSGvUG8or8+y6c/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "8W5JP3bpVD687Vy+OafuO6avsT94W9w++BqzPt65iL+bgwE/y+hbv0JnTT96o7k/a293v4CUJb9PdJY/7VDJPzL5lT49ZI+/zG5Nv+6oCUBSjB6/87/mv57FU7/cDPo+LQD0vv5PdT+48BdASrSVPlkhEsBoYdS+zbaNP23snr8PtaQ/d1zyv4sv+D9iWQ+/LJinvidEOkCqorW/v3eXvzoLmb+s0QVAzVzvvoTBBsD2nJe/m7g9P57HBUBicFY/EJ2gPzrzF8BUZ3C/bnbgvSIkXsAGK7E+lyYlP16kcMDMa3Y/U3aJvuAEiMBOnJG+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 36dd11ba1e2f9ecb677510866f2e07e4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "n6PJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "d9hkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jC6PPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3jeWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JgEaP/Ep4D6taQ6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "QnGqPolGuj0xX82+nsdfvxZI/z7FEZ+/FUppvs00Kr9yPUY/lT/IP8P7bT97gZC+W0jNv85Zjb/s9+0+lqnQPz3awb6bToS/+gDNPyJJ7D/xd1+/2raxvxy1fL1cQ70/gADUPn57r78QLqU/bIrcPwWRtr55VQfAVQT3vzzwEr+apl+//sQIQG5hgz8nsH0/d1Gbv4NhwD/DkHi/YZcJQDUzmb+0hQu/1RJGQFGagz/kOGQ/rQo9wKZpQr7W9WO/PXQovyBOAz88ERTAqJbwvzkXtb+QRMm/wPDTv1Nldz8AsZ8/MkTPv+fru74KpB9A", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7cafa195475a22d4e13bd3691dac2782
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xTH5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vi2Ivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zxUlPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bFaNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Z5tbPzvCuT4hH+S/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANAfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "vWgmPwfd9D26UJ29V6S8vrTv4L7gNIO/faXIv4VxmT70sIa/7fcRv7+r9b+crY6/mT55PNkzlb+5jBLA55eOPgd1LL36rqQ/+Y6HP41uqL8cYSLA7Mkdv5mXVD8j8Oc/FYmvPQBqI8A/0we/u/q4P9OSrT+SB9u+rjQiv4LPfr/yCknAP0qzv4/Qjz8zO8O/4w8IQPJ/Wzzgvpe+TjSpPwXM4j9+BLa/CuFmv/yy0D/4L44/bRWDv5oEOD9SfjtA2CDMv4S2EMBqyJi/3vctQDZyIr5WGhg/NLEfQMIe8b4Wc5i/oavOP+ilBUASgrQ+", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: af38aeb258f28f33aa0e8545f022658e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7zLcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NltZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CXFlPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vFuJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IeqOPhg+Cj/wM16/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "EMicP+RQQj48Fss9k+TXPeZIYr2TN3a/YNeKPuvq4L6AZJE/n5RPvwuh/b48Uu09WATKv/tr2L/J4/C8YgqLP6yW2z/Gwgi+hgzcPEesKD5p1ABAg7LXu2ujuz93Mp2/eRwcP+SUt7/Q67g/qYtWvylmOsCtoxK+8bl9v9w38D8nnX6/9eOaPmpb5D9zkQ7ATHvXvsDZO8AmUoG//zg3P/DUGkDlzoM/uzUAQEi6CEAWohG/7sAOQKfKZL5wwh09zKcPwBJ+yL/512S/0LZZPotAOr/h1ui/ufYHP6NOVUAjTUo/40YMwOXI6b8npl0/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1330cce6a781282581c0e2a7c7a5a165
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XKXJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7+FCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zH7dPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yJFevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PiLmPuChqL4mcCs+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "c5YPPrIrKb1Q2UM/GAT7vlW4E7+hjMO+zZmqvxYZfj4whn+/JGeuvzrpwj/8ZSS+hGX/Psb52r8Vefy+WOnxv4jBnj2n9/O/Mw2xP3wFS7/zat4+jLAuPhonJ8BDdiM9PUpGvWL4tT8ljy4/5xEPwN85xz9DGAI/p7qxv/HmG0AnN0O/l4byP9gOn79DDKU/0I1GPxBc7D8/26k916cFQBpoXb7uNze+ZMzKvZToBkB+gQJAA4dmv9ej1z/lqilANflXPxbC/T+7ISVAW91vP+7S/7+sYeW/f+2xPws2NsAxM+S/mN+Ovj+fS0Bwb/Y/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6ae5850ee2186c2c870ce5c7a4390171
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yi/cww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IPBgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kIJnPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YmiNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PKC8PsoyTD8gRhA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOAfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "E2RkP0XfAL5ppM29c9nQvrSYG746Wx8/Ai4YP0kHgD89Kl0/TkVyP50zXT2j2Ly/fm3tvt9E9T8ULXU+nnuvv1cQQD9B4Fi9CMcMwCKPVT/Y2Qc/KGIMQMIbDz+6svS/vAcbQEWvwz83X7m/S1UqvvXCHUB1pyi/DOlAQCTzC77TWte/FCOdP/oAnz8129o/cEEIQFpOLz+WmT/ABrtlv8c1J0Bz+nU/EAZmv2rtp7+WErc/ajTPP7rQV79kApQ+00GeveIT3r8QHgFA63Ozv30cF8Dikx0/DyrVv4WPd7+cSglAZOjwv9Qd+7+NH/K9", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e220a6c5c9c4d0190111989e59ff6b0e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vbDkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fSVQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vmw7vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Tkohvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "t3+lvj90gb6I9Ns8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "TJ1xP92Pjz46106+35n9vmA1UD8NYgO/qwIHP+MggL9/l2G/ODVqv20iMb84sym/CTKVP+KDnDv3PKc/3tB6v+l7sD/n4JI+8sVcP9mb679AUNW+N+3+vtxIxD9li9y/juuwvxcp8T8Sv+6/1QjMvzGbp791Zhc/aPgHQIEfez8qnFi/I6P4PwBxjj881vS/AP1nPIGeqr44S+s/t+zDv3fhZb/t8sW/maoSQDvE+j+z88W+EOuYv/XfCb9wteg/lAMJQFy1j76ySdY/1wZCQFVlwz6OZze/wMurv2nTF8DBCy8/9ZArwLFwnb9/WAM/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 80adf60197926555cd3899ef05b0a2b2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/DL5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jsmCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "obskvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NGRcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0jr6vrDmAD8PuZm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "EFoMP1ClnL1ZzrW+QN2OvlCycD9OX5G/39z9vn2H5j+9mvO+NjKhv8bu+T5LPLC/ZoPOPt1zqj92MhLA7FGevt/bEUDzH0PALTr/vqT5TEA+yR7A4f4Mva7rHL9Vyms/NASvvypvQr6eSLY/BETRP9Ih4b4s5z6/4w71v7iVDT9dJk8/hFqjv3jh8D+uKlnAbIfuv7onHL9MiRxAKee9PlEbBMBdxaI/+MB/P2Tmd79sJAFAiiYBQEOhMr87keI/151zP7jQI8Bm5AA/TREpP7+wRb8yyUFA2EicPrMgIUB+wXrAwTnRvufMKMDTFOE/", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f91b37cea3d40ff8446615bca38e8629
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AeIFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Yi+Evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bCFIvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aVZWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YtuiPSx9KL/EX8O+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwfRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [20], "_dtype__atomic_numbers": "int64", "_positions": "kQRzP3bOij5uFU6+Nc4nvlPcJz4bUWM/2YiLPpQ4ab/FgHO/vk2Cv7EhNr8UPaS9Sg85v+aMsT/kJ6Q/9q4/Pwgn77863za/XkGGPtpeEb+csAlAaWqwPVv2Vr86phvAxFhUPyEbwz/JaFe/37xaP/lCrz+ZTOa/7xo2P5ysxL8pIvQ/ROIMv6wnAECYkw0/9YH9P3T+yz2nNwk+bm3iv8Uv173MNRe/G1jqPlPAmz1l2kjABUyDP4tvKz1LJSpAinS+v2PczL8wS64+PG1Xv+gZVb8JlD9AfYDqvp1t2b8uTjjAsymkv1WCUTyeEUlA", "_shape__positions": [20, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


