# systems

unique_id: edaea9ab70ea213883804ee0937c697d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QhDJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Cr5Zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zNIOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Vwk2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SUt1v+G00L7sEpU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwCRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ES15PzyPnz2RQqm+nvwGOnOcmz+AQ+i9USgyPgKelL+VSQm/n5m0vxNzFD+4OWW+rAMMQA//3j0rMpK+mYeSvwgsYb9I5OO+fdyPvs6GyD8mx7E/NzFrPq6zBEBTID+/qiNbP4zdFMC6+Ee/hNn4v1lQzr/WMf6+tjTdvyZugz9gk58/hbAFwI0jgD923Hi/n9m1PmmJgz9I+wVAQptVvrBsKEAPZc4/OqwAwGd9YT5hiPY/qUwfwKN25z/nqaY/l1LrP2o1EcBY5Au/TJzUPtqyTMDV6Am/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7e4bf94784b8f2e14813e80b6a378912
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AB7kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "oYZPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TZ+dvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+rYAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sdzKv7gjZD+LiYU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMACRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Qj9hP4ER+Dw6t9++vUz4vqLG9r5xIR6/12uXP8sRcT9B0AI/PUa+v7pqzb3wQDg+eamsvgWsu787l9m/09xkP74Ax7+NeAXATiiRv+9eA8DlJQnAnSyavwToaj+APaE/VXDVP20bI788Oqe/1MZxPdAD3T9m8Ws/HfEuQNL6EL8elbq/yOMewEYECL9dIPA9YJCHvxEnbD57VCNAz/Pev2PTA7/USSlAklidv1rWYD8SNFRAiyUCwL7P0j9hSKE/5zI9vrBPHED5wP090J/KPoIREkBiQeY/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a3bf43154976644e9bcae0ac668af601
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zijHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1gJrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iiCOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kfIjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kj+Iv05/tj1Jote+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgCRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ovCBPvm9Tb541Ow9B7Fjv8UHNr3cyGM/+1cBwEzSfDzbZYu9ls/Evy/fur3Jwae/Dw59vbxzaL4KX56/dyhDwGVwBD72Qns+scJRP0Bvsr4A8wnAYp9cv7D5uDyWoQpAsFjNP0M+mL4fWiY/STDnv60vAj4JJCJA8iIFwAW/rb2Ltw/AlwQLQL02b78DqAG9poG/Pphvtb4WlUTANKHDPzBHS78LTc8/0/sRQPxwiD9CTEw/zebbP/j/2T/aB74/IsgWQPV/yD88vy6+2qxSQFEucT+AT5k/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 74ca74d8a962ed0fbf716366907192ed
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1I3Rww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EXEzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Yi8UvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OGUOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GXNXvR+dmr6Ual++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQCRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "4fEcP9u2rj3Fc8i9P3BGvxN5sT0gG/A+mQPtv7g5UL2NTLC+QsLUv6glqL4Nq96/9NrOvqk6Eb8ExQzAil0gwHfm4L5PBhrAAkkzP39d+L6z9bK/qSskv7s/vT32XPQ/MDIoP5bHVb2aWxFAKN02wIyYz7w9DYY9xMC9v0tkIj6LpiVAmuVWvshKYb9t/k3ASjTGP+FXJ71ZK4o/PXHOP9P7A78QZOm/sqvCP/zVlz/7d2Q+13qCPyXCM76VKFJAWeiEP6yb+D/x0zQ/Q8IfQN0OEr+Y8Ik/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 285b2cf1eb1bd398e8c6569eb7fc0fd0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OSTkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jrFjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pS6ZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PBoXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OBUpvg5P3z4FwDi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APACRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "3RGvP9RIfz2Mc6Y+idnwPqdxLr+Us5o/+Al9v90jTr/WOnY/f5jjv79wrL6kBW68HkCCP2YYOD8cz06/aiW9v5Ri8j5GE5m/Qmw1wPI6Fb+rukk9tgY0QBBBjz2aCkI/lCRNQDQqc79rZ1E/66EzvvUwZT+9zrm/p6BpPy62nr/Sew1A15g6QANy/D5hguE/O9YSvrW1uD+3OBPAhGzoP6lbnD/kUqy/0YMWwGBeWT/G0gPAoNBbQLk6JT+3Y4s9165RwF/aAT/Miee/qni6v6mQsr9mXN8/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 96948c898759c517f5eb746fbb7d0fd7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "v7L2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "P1Zwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "B2FuvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/b00vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RN2HPaIoEL+2oaK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APwCRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "tLOIPyOujz3m8I+5r+WYvargdT9Jtt4+1oWXv6AnLz/DhhW/s9dCv7BnCr+6a7K/00oNwFJBpj/SPji/BiMPP2oFXL+rJGS/qisQQDxfaT7m/OA+09BBPsZWAUDy49s+BhiwP2aK7r9J28O/wTs6QC9Q376kcv08jEsGQP/gEMCDilC/EDU+P+0gLMAhlu6/NFP2P3i8vL/TlxnAzI29v9m2rb/hm5+/UapEv/Zpkr6ttB3Amrshvx0qHz+If+k/r+K7vjEtv779GxxAub2svz2TsD8izAxA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: adeef50705c1016cce5a28940907289a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0qLbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "g2tevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wHpcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "00wnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kGaMv8U9xr4aNNQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAADRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "wneaP/FaLT62ftc+liVdPhrxCD4NuTu/ITCLv8kDCL8hEwK/sWK5v1/1X7+fSz8/8ugBP4aJIz8BaOe/9SLpv6pqQb+wANW/aHDxPvBn4j7zkd0/e+vRP+1qWb/ahfM+9/nCv8FGLr5HuBvACIcNQIisjj8RfjM+uCgYvyXRIr/BBvs/Sq8IQPxJqz+pCUS/bh4awBdurr9zOmc/UaObO/BCtz/Oq9U/C4ydv/j9ub7s1TNAjmaYP9ed8D6qdiNAL6w0wAGqS79qMce/1m7Vvf7iyb9eeBBA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 864db2cf31c05dc86a8276845dc37537
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CZj4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Y2Rpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "c4KWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KiMevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "63OZv/phBL8f9Jg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAgDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "e6+FP9RmJj4Sq3G+oqAfvvo6Zr6v+xo/Y1KQv+CvdD/xm4E+5yaoPuKFEz/VRMm/LccNQJLxIj4jNwI9qcuOvy17pz7byZa/gW15vww4hr9qMOa+CdHwvxewBz+wCPa/Jam2Pb3TMr/2lgBAmPBEv12P/T9w7MA+XnTzvuct77+f9ni/iaX1v909sb9pfKi8pqAFwN8qUj8GkUA/3WpRPwXSeD/Y9SXAsv4+PzJSyr9zDP4/KWcfP6aMrD35YiRA59OVv2Eif79H/iVANoSDv46Jp79wdl9A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8e50243b0eb5229d4a401ccd9e04fadd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1K/2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yjV1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SYCavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pvUnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FvtjP+8gpj94lzM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ZcdZP9Ex5TsGzGs9CD98vhbdg79L9Mk8DsnFv2wpnL6Flpo+4xhOPv+yrj/Y0rA+dNP8vYqiDcCz0iq+FKTvP6PLxL3JUG+/iFWcvzDzgj8VkMs+k5AtwFbZTb+zm9Y+OX0OQK3IvL5T6dQ+OxkcQKTDtL+TfCM/8Sg3QHqHvz7zRWU/2171v5VI2T+FoSw/rk0pwLA76L8VdJA+pHQIPz//3D8gEao/568DP8xLG0Ci/jS/WZ5MPlHlBUDDWNm/5D7LPxc1KEBJzTy/Xymdu74FV0C1FvG+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 234418c86a31214a6a7891dd3cd77c9b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LpT4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ILV5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+83EvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ik4Xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+vIivnb9sj54f7y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "E3BKP//1ib6iOj0+tjsavgpN571X0ac/3NSlv2WEmD5236E/EhHDPk1CAb8Z6SxAXwjWPpx+FL8TnKC/eV2AP+8lRT8lmGq/dPaZvsbmuz9iDam/xXu9PwQTc7+vJDpA9kbcP3SqPL82Nvs+iIi+vlkGrL7B/l9Affhnv3myhj07h9a/P23lv9DhaL7FqI2/iY+Kv3YLG76l9kPAv5FOv7GKBEBUrhC/UKH1v4n8fD42qlTAvUJdP6EKt78z3uC/2mcAQBqskj8fu4m/CZUuvjPgAkAoQg/A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5bcab2ccad6b620cb1d49ec8f7918ae6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XIsAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "u16Cvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VS7UvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TKYavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GeKwP0c4nb8TZrq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "6V+APwp4wL4+ZtQ+MAJqvprjxr0/rpg/4BCwvwGGer7brlI/hXbyP9MDlb48poM/YNqMvKUC0D6KaShAUiWIP72jCz9/JklAtryQP68Xtr+7ziy/s7SlP8KBNT3rUIK/WKh5v+12Hj+Lf0lANcQIvgbkwr/ZOsW/OnTyP1/mC8C8jRe/hTuwPclTxbwipPu/bjEMQEMWHj9DUJy/ZvV6v9Akdj+Mme2//Dnnv9mG4j80YOm/6BaIvwod37+Jy4K/buNAvJ+IDMDG7xjAvqjlPgeRiTv0zz/A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 550954e225ecebd8ad3b2e2244375bb3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cAvmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CvV0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rP29vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NPYVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KES8v1Vqgr/l7cA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADADRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "HeJTP9h4ir61xgs9AmLrvV5lGD937zy/SgYAP0Z8aL9Tf5c/mpcNQInl6L6Jdu2+Utk8v8+DcL+QU/g/7BeoP75bu791XNM/mgr3v2Lwwr4Ym9Q/YYnHv77jAD6OGle/inIWwFIVyT5d6eU+g/o1QIoOh79LcW4+ZQAtwMJ8+74BwxpAhqWBPtqe0D9r0J+/w9kpvy6gvL8OiDhAmBbLv7vvcb/7w4i/dLIpQEZZVr3vqMG/awwBwH1aLD/dW9W/48EUwFW0uz+WQjA/Cw5awE2MMT5m5oI+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e065f5871d707b4ffdee00e4414e99ae
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GbXZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+FDivQ==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5L7VPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WOALvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "b2TOvkQXHD83cTI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "WNWTP68Mnr5qkju+BYjsPunVtb8kHEc+d/g2vz49lb+dL3c/iEMLP/OvYz8aYrK+WNAdQC6OGL8CmwK/kWg7QIlDm7/ANRQ+nvzHv5rGhr2JvL8+4PpnvwGKcz+ClVa+e8qsP45LAEDZP0K/qd8+QOIigz5qZjC/oQe4v9Uh5j/8MiO/awg9wCwQgb5CLN0+JAVSwCWrGL8Z96k/nHeUP+BxEUDhTdy/Ajyhv3g4B8BLen0/hpiVP2nQNECsQ0G+ln/TvufDab+Ezf8/Z0FewKisFD8SfTs+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 61d1c64ac6c8d60b41403d31c054cc4c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5yPHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MdEgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ibSNvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oBoPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9WcfPorND7+V8S8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "kT+DPzohiD3oKmQ++bQQPqe9dr+R15I+jFlYP1nqoj8LaRG/STSevmYA7T+o7HS/vjyIv/YAgr/Lfeu+5g4PQCPYxL32JoA/3n8VQNinJj9Iatc/ILv6v/M3tT3Ajb2+OKvRvy1Mrj+6jyC/J0q1PtinA8Aeho4/tbNDQAY2P71ldM8+9kmDvnzmMUBMcsK/uqfGv6S38L/m/I2+qSjjP7Qs4z/LGVa/tDQcwIjNBUAYFhC/z3k+wDl9M77gRL+9PqelP7dmAcBodL8/yrgPPt8DPcALOjE/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 176c9e6d976ab31a4667dfbfb04630c4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "78b0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GAYsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WADTvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DaYRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7UcqPom1GD4vwDa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGADRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "HM3HPztLiz7Zyb6+NS5IP2nXiz8toqe/WKzxvgO9TT+HPte/bAiQP/CH5L41RBo/TpqkPygb9T+4DOe/tPtVvhyY2b4broA/NC47QDxjoj7/QBS/8FOdv6ZKTr55Ypm/++imv0vprr7aD2U+vr9PQDDv9D6RpcK/gCysvsVJAL8ZWxlAbCfSPhLohb9ujzNAG/ImwIgq0b6t3Dw/lKF2v49hrj/SiR7AMh6hv7wvTb+AvitAek1GwNwL9z7jxTc/nZpLwDXAir99pHU+Io5cQHjav75cOXm9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e0c6a9f5d326be39375c4e6f75cd4ff5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vwvmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9iOFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "svLLvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "k04kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jiNWvE9AWz9H5pE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHwDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "06DjP+Znu725fp4939mTPwCJIz+jK4E/NsidP7FvSr93CI2/gROWvnzzfD/cM5c/EYNhvqkzfr+ZBay/9qQAQGaWoL/3iPa/MiCkvy7nMb8HaRW/wECrv1i/Ar16KD4/blfEvmFIxL8ZbxHA5ZrlP27OjT/RtuA/3dwQwC73g790h2i/gicTwJ2+er4Fdbo/aBQ3QHwxML7tWfQ9O7X3vj7Xjz+0BxBAcLcav+rZFUAyJPg+znj3vvGOEECVGhm/toXQv3maKUAppTQ/xFWcPQJuR0AAm1g/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5c963d68c4d116fe948f37757f2065e6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Iyn/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yap4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kpfVvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AN8Nvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZqCyvUEOKj4YlYA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIADRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "POESPxjE8L0YQ12+yyhBvw67mz6OVrs+TkwsPwzPNb+VHa+/pUTfP0IXLD490gc/YCT1v0KZAL9+/0q+BFJhv24xlD9hB5s/j7nwvogtY78n4grAMUotQPGZ2D4fHJs/V9XQv1WoUL+N/dG/h2MfwH0ke79+kxLANwxQwNLSAz2RdIa7hnnsv7MIvL8t66w+iyxUwKZCcj/t0+O+L3tZwEhHUT6igHw/ewJ4QI6ROj/ANwFAZPRsQDGxzj8tzShAupeDQGmf170UBSxA0QyYQCXkaT+I/7E/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2d0e0eba62d3aac06335c40ae0300b7b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "f5vbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PdVxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iXvMvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eJcLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6nhcPz90Ob8oDyO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIgDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "zCoIP/dHqT6idAW/mzdav53oOz+teYq9OdM4P23fm79CxB2/Ejw1vg8H679uXhy/yqT6v+odJz++vJK/XwWOv4YNjT+D5YY/P97Nv7LJwz7tuQrAVTOtP6m1wL/Zqrq/Tfy/P/Eii79JVDg/tjLJPwqPxz6G8gI/hdZDP9rfYj9gjri/sHRaP9BYrb8pgMg/5IekP16VcD8Fp6g/wec1QLbU47/87Fg/J2VHwJMsXD++XGe/zGBfQFEOwr+rh+A7MDFWQApEvb9NpOI/nwUuQOqLN8C/3V4/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 12bf3d54e93c3fbce965efb32e3793b5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PQ/Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DR07vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7N6KvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MMEpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PzXOvh6KIj+ugcG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "0xufP/w73D19SVS9XpWoPqXuZz7F+qS/g7yRv6NjmT5DoG6/dLDBv2x7VD/kmYA+MRkEv6Ksoj9VVps/udMAwIrsRr6w2fG/mi8kwFcNcz+kFvs+jBtJP844ej90SYs/YGO0P4MIrr/cJ7g+bnDBP0yeoz8asOo/gVRcv1m17D/+LwRAZlG1P/ub47/tML4/1rLIP4beAsCudAK/eTjYv4MBF74eFjbAu2sXP8D+kD+9D+2/DhgCPw2kHr8uaPu/CG0QQP5Nyj55Qr6+VF8+wM84zj2qJOa/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7f799001e0f744f1779a41a15aa2bc49
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2c30ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vRtLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9G8XvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wD8lvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ttYHv5eQZ795Afa8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJADRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ZykrP7m8Bj4q/309ZzEpvgLdkT4xwXW/TRO5v/CXlb29J0+/479oPpxg1b4636M/2ZWFv1WgSb8Gf7c/kJ6JP/iHCL9hMhhAQjEGQB8xEz94LiW+kFQXQI2Npz8l3h0/d/PvvxVqHL8wxNE+AXYCQGDFQL/+0gpA9NITwKnRKD7RYu+/CW7rv0MNiT5wgDDAuvUwPyxvkL8UW0ZAVUQ6wMNdaL8LGg4/PU4xQHa4k773XQW8zFZHwG/P4b6EFPa/TeQSQNCtjj+/ELi/mDK3P3PMhj9GSfC/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c06e7b0f2af358cfadba51dc5cc6a444
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NpLRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ROA4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gVzivA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tJQcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bXMbv1EU6D2SXDY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "qvYtP0K0kb1P7o0+isMpvzTKJL63B5O+O7FHP4vxAD7Fu9E/tJbWP5ZsRr7xtAm/lyKovgsxHT58tBxAE9uLP1sbr74XOO2/K4Hgv6bHEL56kQQ/4gDKv8hdmDwkw/c/OFsHvp8NlD7lQGBAHZvkvvo7mL7IxN6/eqgbwAHeTD0JTyZAGjTaP+HEVj6LFwJA2GMwwD2Mar7Nu+I94SCPvybuY7+kVhbAjXGuPpkFVD8dXBrA1vfaPk8d5D9Fd/O/qchqPpQ/ZT9CR1/AP1vNP/n+gb81ESLA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 54672a64c24ecdd437a8a2a56e55e35a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Jt7yww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "o5Jqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pweFvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0A4ovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zyxJv/cBiD6nXOG9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "C19TP2g8Xj6UX+O9K6xLPgm7pz8NnwG/YFiIv6DSpz9wOy2/saXdvyOG1z1FLtm+7KwtPhdVgr9H9Rs+HcURQHimsj4FIoc9xJiYv1f3gb/lMBm9kdZDwPSDRz5BPiG/iGNlP+DE/7+qUAg/O6IuQFvjDr+POK2+A4+XPv7JM8CegSw/xJAkQGOpmj/s0Am/kBldwAiJiT9USWm/uAIrQPk3CT91wMM/rMMXQNzFqb5gkQdAME1pwAPkGr+hcO++MVwNQDeftz8lF/k/C3xwQAk8JT/sJc0/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 377a09797137c2aa2e728a17d02bd543
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/rbZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zv0lvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6C90Ow==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "js4pvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Sx9Sv7UVA78yVRC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALADRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "IGyZP4njbDwa0pm+T6/uPpSUn74Tgbi/atwIPyhsmz7f8VU/d51Ev/W4bb9XW5O/dJZcvwwS1z67rF0/9NKVP7K/Jj8LQANAiIzAv71+/70Yd8696y7vP9jzn7y28xVAWfQ3wMLQob1IPS2+EU9TwPr2Lb4dzYm/YHgqQBEL3j0QKwy/W2A2QABVJj/zyr2/bsJJQDCfJj8Sk4c+PCxUwIs4Fz86uOM+YwjyPjSGPz8dxzFAqtMcv/QW+r/WP0S/GiWpv0vHfr8z4QXAAB9JQOLKX78C+iW/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eba7838e220727926601714badefb68e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ipr4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "g4dpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+5HCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hj4Ivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Btinv/dYSj/7BSs/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "uO5wP9n3wT2a6OW9LvqBvbfvPT9n61w/vVKxv9Zz0j5GCGY+kmDTPSOg6j9OJGQ/QUemv5rkR76QiHm/AJgxvKlQTT6LawpAmw4UwGnhJj9elTs/Jh+EP0P+OT+sMj5AHUgBQEER+z52EiRAFc73PewT2L5tB6m/PUoTPwtGZb8AdhXAYGBwPxmu6D8GuERAmokZwFjjIL/pD/G//rtsP5S+iD6VJ31Al6AUwPvO2b+BfAXABhwIQKII8Lw6VC89r4xYwDmV1L4eOru/DdQTwM6FAb7sjzbA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9e33ec35c8e93662f49dcc444c74362f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Wyriww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aCVNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EeN1vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pKwPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "n6uZP6g6RL5JaIs9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "asGDP4ruWD7nyCk+e7bgPfr/+r0vTIs/ZCCNv+nOBL5O0q0/wF8AP+3urD+0mR2/huP9v3V907545IM+dXA0v2k0vD9aLYW/vW7dvyy1AD+uFna/41kTQBEmmb7kjRe9sFmWP1gqDEDTbVO/ntU/QMZB1T6gNFW+MSDFvyhmd7+Wln+/KypAwEDDJb+e5Qs/9xsnwLGhUT/1TcG/WFkvQATnq7/tW18/DKkKvz7Slb+GA3e/XeULQCMIEcBySy0/eqwkQJvPiL/qq/Y/ezJzQLDLxb9jAzc/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 81fcdfe9121f6523b9c745d7c3159e3b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Vaf2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gbFuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9rTjvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DK75vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ipPLvuaWlr6yERg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANADRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "cdO5PgZkHL5ooR28JOpov+jMqz7unBa/mFiyv7dttT9Stoi+46wpP/kIjb/on+i+2g3FPhgqXL6O578/PqfBP12EWD92MtC+Z4fHv9+24b5wJd2/kCszvOv5LT/yJ/w/LqGlPwRRAkBZwga/OaiPPi0BE0AqydK+IXcOPrCiw7842QxAK5UDvUIOGsAhWss/hCDCP3ICbL+FtQxA4cERQDtmsb/edco/8HvyP+PR+L4jZ0dAfnqTv6tswL+lEQjA54IdwEYWfD2pigjAdvLfvkzywL8qj0dA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e28c133884d9f6c3452bae1e85ff1bfa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "B5r4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wxB5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fqvVvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BDsOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mPqpvhUdyb6il3E/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "TABOP2ZOKT6wR1A/ZhHqvaeWmz+vpXU+yhWIv5OAfT+qg/W+fdHOPsqjob8VGPE+rvQ6PvRzK0ACpRg/MINhPyo0qT61l/I/q8+HPwS0QEAfrqw//0CDv2BW6L9jMUk/MzYUPm03zb/tjIG/m8vnP875wj7989s+R60Av/orWUDHDcI9zF6WP5em+L/eRlo/AmHfv4TThL8054Q/CweWv2daFMC/yi6/9ik/P/Osrr/8PAHAfzUCwCo4+r8LUp+/DvaGv+O9JcD/xMY/ZTeNvy7GWcDShE6/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b036d43f48143b6a87378d3f3c24ce71
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6ZMFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5E1+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qTAGvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "djrwvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JTuCvxe8CL7DKh6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "awfoPpImHL6YWyc8y4CAv5XVBj6KZpC+hUKTP25hab8Dzx6/saPKv6U3uL2N7CE/GFqOv3BNnD/fzd2+8j+2v4A7HL9MurC/HjeFP5ivGz+n95o/fAi/PhI7rz+3/e4/uiMiQOEmtD4MMMU/B2wywOXTyr5LS9u/Y/5DQF02ub5j0mI/EYFDQLhnaj8xxB1AAnFbwF4FKL91Blu/RlA9wBaXKz/OSPe/8/NHwFaWoL+FuzrAD6k9wP3vE8CjSizAzpofwOE0fL81L3HA8XeFwO2Sjr/I20zA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 809d87d750a1ae6b8a0143d0d44964ca
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JqEExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tOeCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xeK3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Bt4pvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4uk1Pj6W/r65NjQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APADRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "4aJLP1YqJTvwG8093j23vqw7cz/F1oy+ZXCVPm/Krr/SdKQ9JESiPjvu6b9nhlG/4au9v9aXhT/TKz0/s+WYvcQgA8B48Zg/NMeOP9U1Xj5LH5A/WWGsv4h95D4uyNI/Qkf7P/7mCT6rnWG/mN69vl83xz80hqm/bbbMPwhCqL7n5QrADjATQN7Ylj93kGe/o4H0vSZ9yb8UIxRA3Bt4P6xPoz4H7iDA8WMewIoT5j8/1/4+1elIwHme4j/xR6M/FsatvoJTRsDB3ng/eekyQOWl+b4j3gq/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bb28bb5547e3f96c034eaf0259862201
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UqDbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kkFevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7Ua/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Nzz9vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "C5h4vwk4gD8rarC9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "r+uAP+rkmLyjzEk+5km9PFFEjL/iKrG+gR6rv31y075O+Oe+vwEuPnW5nT8QaeE+cmqGv3P+hD+gtsC+5sbjv5kbJ79rP7a/PHUSwEiWX789lyg/OpFevzp+sj8Rv6e/XHPwv3D5J79LJdM/GqH2vfbbnT+cOsA/IL6gPqLnDsBy5xu/rh4MQHIKML5GUrg+4TQdwIa++b8zvhY/uo9PwFD4s76YERE/uThoP/iqIUBLdQQ+OE6ZP6D/I0CkBW2/LLzoP19/JUAzZTo/8mWOPtMWWUA2h7E+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7a7a5ea6957c39821c2887154e78a895
username: gastegger
key_value_pairs: {}
data:
  {"energy": "isf0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "z7wcvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OPOrvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aD4Hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kGs7P2Jnir1fmES/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgDRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Fc9MPxa20D6UKH6+8LDCvk2bRj9/C2m/e4/NvwLXMD4eIei+evGHvsM11T8qY/W/tv80P5WgCr+L6zk/BCbWvyenNb+y5fc+AlfzvjUDjL+e+oo/ssbyvhyPBcCnKwdAVEJrP2XqEkCUIxLAOjLgP1kd6z82TPi/Y4iUv1Hh/D+pQxzAvrpnv+yA3b++kj1AFqkhwPI2+D4RL3K/xGWFv75GOMDLlOk/+JF+P8OmIUAh3VDAKD72P8mUSr8Pyqg/MXUtQPH6Q79z4C4/ABDxP9H8z78xGPI/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 152a3c7944c1196d35946200a19b0c98
username: gastegger
key_value_pairs: {}
data:
  {"energy": "65v4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KH1xvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uVC5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zNQUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "26Lcvh4WSj5y+Wc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "6bZLPzP57L0CYMK9vTvEvsM2g79PTJE+1u+2v8rmLb72DG4/AnVGPoWRpT8h57c9VbTJP/07gL55QS0/tgGMv6umkD9kQk0/x9YuP+5LFUDuvZW+l/WiP+zNzb5Ymq+/bIXVv/Sa/T+QJpM/hUYowEdySL/Mp8c/yJzxvkKlDcD7QsI99BElQBEdvD05M9G/71pGwMumvb/aWlw/Xm0VwO5lsL9pmRtALD8nQKm1lz/L48y/mtRWwFvQB71a5O8/22NTQPWpoL7OhGm/IRw2QBmCgb7TnCjA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f808cff93446d4ed1828a8c7e80a6a79
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5Mj0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "trxSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BByCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tK4Rvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yk/qve/hEj2jQJ87", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "TnnDPzT32rzsK1I+A3loP+WjcD9ZuEs/p695P33cgb8LgxO/zUg3QNuZuL3imrg+dC/kvk9edz99AB0/M+5JQIE8XL+maBK+f4qUv75qQD1wvAi+LPydvqFifb9XET+/zVqRv39/A0AIlaM/gA55vz4NAsDLfMq/cdkbwO24lzxBO6q+Nwtsvt85LsArmv2/w2bbvxB+JMB0wHu/+vs6wE4RRz+EmA4+C53Ev/5zx78EBxnAIX/FvgbtKUAAzOQ/I97tvzXF1T9HbABAPRLWv7gZK0AF1gw/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f041d947c48fa5d2dd786fa91ff00e7e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CJQFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "U8p7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6jyqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3qsmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qwmqP/FGpj5r8VG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "heBMP422YT2Y+UY+tPEMv4wIEj5seWs/3rNmvyYbIL+Gy+M/dLe1v8Btrz+uDCQ/yWs1PxgGkj69/Km/P66DvwbRFkCCVYU9q7EbwA5CpD/Xg4o/93KvPzNdmL9b6P4+kgIyQPtomb8aNgw/C3dPQMbCdb93Udi+3ksVPzOArT+bycS/RwHrvv1m1L4oL/2/dcSzP8eaYD9ITR0/16e+v+9aK790RLO/WDXSP4Irsrwlkue/R1JKQP94+b4Iy6U/V+auvhXNKL/odkPAZ0FFQKtEDcBXk1U/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d780cae6dde300043338ad41c55de8a3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NKgFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hepmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LPGAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "73Emvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DOV0v2DlML7PLDE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAACQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "+VguPyppeDwaH4e90C1oPDZQdT4ZQ4I/fYaFvd4nQr7ft6a/OsoLQDM12j00zMa85UcnQNKkVb9fZ82+gsKmv1un076/ebC/GBMnP7nZjr0l8BrAyHogQJ5fYz/FIju/tM4qQE/bvT4g9qE/ndeqv1oIdz5v03I/SIH5vwLTFr8NObe9v14AwIJOfT4p/w5A+p3yP8rkAz/P/uk/ih1AwBd0nL6PZim+jQf1v7rJ1L9Ij0I+8Ue7v0DlZz+dXDpABn9BwI/9Hz89zAZAEMkDwGn+Qb99jytA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 457ab5d8d307ff5bc0b75728406b37ff
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1KEExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Jed0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lpLFvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2h0Svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vCJ4PjUpRT49Jx2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "MMxsP8/6gj67cJu+YrAQvzOn2T441RS//ditv0Rr9768qRK/UU2cP7E2aT/thwY/EHi9P4enGj/J/Ja/Et2kPzizir+8nbu9me6Av1hk7z/b3Ga/ifgtvoi5L0AxBmy/W56MP01cz7/PcJQ/TEQewCP0BECMuJW/6k8hP3Mgir90cA1A/RbAPwSvO8A1hJA/tlgMQN3WSsAbd98+jXOQPvXsDb5vHQRAupRDwPh74T/+/pi+s7rQP8cVVsCudQJA7tsywDDhtz/Wgv+/0YEqwGwDSEAJ9LK/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 12723118f5f9583556c1adcb97b88463
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rZUFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uoV+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EQDcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "soUQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AcGAP5DaZD7KMnS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "LrpGP6NdlrzHuDG/V78gv1D6Rz7uvOy9Kaa7P0SpbD+Y5oG/3VWkPzJ/u7/CaWS/1N4hP/d4GMCJPuW+sXKNv/JARb/nk149uA+0v7xdXj+O8ou/nQYHv+AwfD9jx5k/cX8lQAIez78izNC/vGxuv20s1j/ifqu/gBgeQCX0n78//CnA5d5WQBLyfr8nrZW/AJ44QPuXKsC1CNK/JlioPfLh6D4+OPg/EzoXvRTf+D+uhHs/HZbxv3yQoT+jiuc/bwEpwMZG1D8rYYw/hb8JwHxTij9yHj5A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9060e3cd0a665207c24fd7157b93c567
username: gastegger
key_value_pairs: {}
data:
  {"energy": "y7XZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XeFtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wwzNvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/FoHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "c7osvSOhrb0iiZ69", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "BkYwP+RVgz1RsZw9g+eCvvBf+77vz2E/9TCTvzetMb85yuo+hhPMPi0pJL0oYbS/CV5/vyuRUb5nJfu/+sgevn/O374kSxVAUpRhP1YUKL9HeSZALuTgP8q8GD+BEw4/NUakP1TK07vc7xTAi3YOQBOqgT1/+fa/XjUXQLUudD8Jmzi+f0f/v4qB4L63tqi/l+KBv4jQ271DGUTAnI8RvxmiaT/cZjtAQ0BIv7C8nr+nzy5AeoanPc5b2j8UfyNAVkXNv1gKlD9s7SpArEj5vm68Yj+Rm4BA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ce7363e52d22b6c24a35c9044f5d9c0b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dLL2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bF2Cvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rwXdvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ADgWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WyV4PvW5Qr/2epM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "3T5VP5eFdz3/WOU9IHwOv/m+77yXnAK/mYPPP0Eacj9OD+29+TGVP53ohL+PdZM/i92qPuqN8L9gt7Q/v0VZv6Rnir+ktBK/E0jMvwgsMT+QiOI+pS3Fvx1eQj6mpbQ/iRUiQMkQd7+NFeM/9ogrQPKycTzTMQ9AlAFTQCw/hr/Bun4/v/QYv10jEj94Ieu/n4ApQPF54b/UgSBAo1ihv8PB3D9x2BI/GrQ9wEBZMT9iGle8rMUxv11zhz+vWzjAbKZDwO0zkz9OGmq/rUZVwDAEfr4Iq9S9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9c5d56798dfcb177c7541736f76d428a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vAjmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KJ5zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "H7m1vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mMEYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "w7vkv5Xxn79cVQ6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "EcmoP9b7Nz6+0Zu+Kuu3PipiYz/bgDk/h2uLv6lh9D49jlw/kE9UPwjO4j/747I/DK2mv5e/h7+0j4A/glftv02ZyD6sFv2+/oDDv27kjT+nPNE/s+D1viRZ1L+tZbM/8vFhPya2aL+6GJq/Ha7Hv9sMkr//hQi/1EANwCWmor/R5sk/zlS+v7QpfT/zXKq/teUdQLunET8cO62+2+ynvpZTvb8lRKi/wak6wF14GD+7lbK+gFXdvlOHEcBlKQPAAK7YPy7eoL+mSOu/eNEYwFij479Luli/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b257c846afac025b383121ee248958bc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ISfkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WOE2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "IZIhvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0HwOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1bLlvtunE7+PpW++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Xc1dP+60nz74B8Y9nTkpPgITHT+SCpO/asSOvyXfeT5FM8W/rvYFwLZC/r7QNWC/ECICwNHzhr974cU+1w57v8Bpgb+sjKY/gh5BwC2OJb8+fba/buKyvzClFz/KGyLA0Zg6wAQKzL/xqTc/eM6NPvkL276t2Zo/jfZvPxQbsD9e2/2/+6fzP1PDuT8R6Ni/1+SVv31Fwr9Qvg9Ah76RP4mRAL/qUxFAZcw4P9UctT+Csz3AXgoDQKqiNT+5iF0+5CoFQD+TUL4vngNAIFmAP5CQmr92Tz5A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1ae572778c431151e60cdcd770be55d2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uZX4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H758vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lNrrvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1dAGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "c/TIvg2ruL8AqU0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "qD07Pw1IOr6o55E+39WGvjtpmr9+IEs/21MUP7mPkz9Lzbo+YJLNv/0yer+CrMM+DFn+P8/cNb+QDqu+qKUPvyJz7j/IYXo/MKCuP7vV5D9DvBy9lGutv1B0nj8tlbY/ateYvscLmL+PbvE/6bf4v8GKpL+ILma/gcNdPe2oDcBM5vw+MZYfv16yREBjC4A/+rOWvxH947+/J++/rjwAvgldAMDRIeG/9a8/wP30iL/r4Ya/bmzPv50M/b8BdzXA7ysCQAPN6L90JNO+LaI5QPJ20ry9NTq/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aa0b21a1ec9a981ca9516f5f3acde367
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VRzkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9Q9Cvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1Cc5vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eH02vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/G9dv0F9Cz7W//m+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "mjVYP9SduD2N/5I+uS7NvsiECz9XHTE/mZMjP6CDZ7804Ru/xo6wv0GqPL53MlQ9hmMyv83Wjr+HjUq/GO8vwF4Ptb1pHXw++Xb7vhhxyz8Hmc4/OKWSv1Re7b9rDLi/vKMfv6OKH0Ax7BlAowPuP5LZwb8YCpy/J2tCwBicRD+4GDM/SCM7vy10UkDAekZAFOggQIz98b9Al9m+fIJTwHeUjL7aeRO/vB4qQHLYHr8AcATA7UQEQN68bL7vHzPA3XvGP3pbGMC62ee/hyw+QPrCMD72JMK/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9c627ca05044c807456b9dccf2f49baf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7cT0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QNtqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eNRYvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IqY0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7pSuvkOtnT9JhRG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "uUM+P7jls7yP+gI+pa4lv41F0j7rjwm+VSByP0KYrb9354A+m8TWP/hFVT87pmU+fgnRvzNw4b5SN4C+0XujvyZz4L81bMa9of8Avg1vEsDLmwo+E+lBQEK1uD5cm/U+ku8EwO8DH8B/GDq+bflFQJiHPr6X4LY/5QJYQC5Wpb4LiZy+wiltQDmxmz/MywU/xtNTv88u3T96Gnm+FWeKPHu8EUAwnR++QkUHwJV6FUCXgAS/Xcc3wNJR+D8fgSY+IUYcwLVMCEAuXcW/5dsBwPZ4WkDtPMK+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e92943d3b59a8ddec7a9283cd692d841
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eXLTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "n+dPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wcb1vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xy4xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IxWmPkn0or6cv8k+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "+GKPPwfxB7/ccrU8Vtr6PbS2ar720om/Wah0Pz1sQ77fMak/4T52vtMgqD4hrvU/6f7nPzsSpL7mr/0/CN4OQMGvkr+oBeu+8ZDCv8N5Fz4sYL8/o6UyQEyNtb+2fo4+4Mv1v2v4JL8NMbo+zDMUwPG3Bz8xMwhAO4CYv/fraL8xtDy/81fQvRdCWD/3azdAV/I5wJwajb8w1ts+RQLIvxPWz78mjLu/TiBzvL9gmj9DzKq/5usFP0zkML+oA/6/ITv3velMGEAj3ci/r69JvjvsWkA3keK/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 43b150128f6a424e83c69d8f2642687c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IeYHxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ictyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZTbovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3V/9vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CTjIPxPy8b6oqRU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFgERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "CmeRPuJY1j7mquU98UL4vqGmur1XyIE/09wGvuuClT/mY4S/0disv5/3oD8tSKS/GS7RP67Xqz5uLjQ+rbHvvzxr8z2CfkQ/va4HQMM5Oj+ylh2/UbYSwNWFHz//kda+ORQXQKFp2r6CvJU/lzFgwC6EHD+4TUu/U6GCwHSQ8z1jveW9/PXXP1dqFr+3FwFAvso5QDvQ37/JKDA/Xa4uQO64EcCUYAS/MGxfQNbrEcDujLc/13EJQL7L47//naS/+DxKQHcZT8AJgUe/2BdMQKYmPz7cIcY/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f5aed74643a0d36ee5af75f881dcd305
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oQvJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2ZhHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SQ5YvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "R5URvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sDisvhwIkT+eB4c+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "/fE0P+EZaT6ERqy++DnyvjB3/74eVDq+r5jGvzp+nj5HPPa7jWUYvyD3+b8tmpK+feuMv3bx2j8Csuc96CQlwO/dorxEW8e82LmdPkiwL8ArUO++gnHUPrikzj+RjKW9PToCQOo2ir7gINO8nbvSvx/+EsDvHT2+KgMPvtcNAECEuKE/GhXZv/6TIUDP15C+rPEGQFtQqL8WpqO+CnQRQLygOb5Q34U/WH4xQOMeoT5UVhW/a97BvXETpT/fJgVAJ2MVvYqkQkA7GsY/J6B/PxxXFUCJ1SW/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3ac645eae5ddb545e9346f87e2ff08bf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HygUxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OgVpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "j8PAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cqMIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NzcGv9I6yj4kf1C+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAJAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "O9wAPxznZb6y96K+mpolvjIW+j6LjJa/e6XBvwP5AD9K1Yy/l2cNwKbqTb4gQUG+N9QIwF8uoT/yu/+/n5LGv5kedr9rDzc/wExSwFaYbb40vcS9ru4pvnO3gr9juzs/uGfBPs4x2b+bp8g/jysBQEpBVr6iD7a+nJUZQKELk78+j1E92mEUQDRHBb6jsrO/9R4oQG0qZT/WOMM+AuMfQHGcWj/q5uo/Gye8P/K8bj9hGw5Aj2E6QHvTsr2uLA1ACUFFQDVG1j/KxBBAe1oSQP2N4z/qx208", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5adf291bdeaaebed3b2988cddf225477
username: gastegger
key_value_pairs: {}
data:
  {"energy": "67T2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SMJevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HaopvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wVc0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eQH2vwAdDj8Ct04/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "QkEVP9PKZj78ESy+y4MMvyjdYj94Y8Y+XKe5v7cD4727AT0/AFWcPlvpkb/8iNK+J8HrP8ibVD8UIJ2+KGPuP9ks6T/UiDM+/zwyQDMNqz5/j1u/RIs0vzV6DUDgIQM/X1yQv9TMrL+ldXU9nAA1wCTfXj6qTYM/vqKFP9y1+r+1P2G/JpxWPSocOkAfyEQ+oDLiv5/dxb+64VC/aFeXv5I9DsAJ1jc/YF44wLCYbT9ZVO0/gjlWwO6AJz+mwiI+a9TNv22pJ0A7hHA//5ZWwHyVML9tQao/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5d73f11cb0a319ea288e364bdfc294f4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ms30ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KVtEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xty1vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kJ8tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uTZ8v0XwD78QkjW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHgERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "fPCLP34NPj4fsl++wYWoPpfRbT+yNiI/+8TFPoHEbb9OrF+/bH1vv3Ntkb8FRBi/5SiXP+Bt079Ordi/G3cSQJma1z7oddu+bfMHQFHCp7/o9Oa/owSAv83wQD8WB2g/eQXLv7tngr7UHKE+GVi+v9sb+79/LoS/f8o6wIUo/L6OuCg/MP1UwEuLlT7IEZM/BFZUP+DrGMD4iRHAu+53P3zbAkCB8ag/ft/kP5B71z8JIPk/hZWxP0WpL0Doyxc/6mtVPs7qIUCuvPY/5+pfwGbRSr8FkuW9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6d44934a7107dcf33d01d57a641fc219
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Gmm2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RbpPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "duNdvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aEEYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "rvUlPps9UD0LJKi9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ePpvP89apz0cF3s7cxekvhD6Vj9asvU+Vgaev2daMz8YMzy/cRajPq21ib8xqzq/ncwEQGwy7b3YGWg/w4wQQEdPNj+c5JS+adEZQHjB4j90+se9n0cfQLa2hL/aQ0g/dMF2v8BmSL+OEIO/2io1QJNCoj6MG5C/WgAGwByTvL5gUQS+7AZEP51eBMCbajS/9422v5n5rj9nvsi/UDOxvzu6lL04Qp0/cWJJwMboGL8dJ4K+476Cvz+0ar+ZCek/xij0vW2y5j93rHM/PsEBwJP3Dj/8n+w/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ed45584a4092553bc9e67529c023f9e4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6CPHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZHQwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6bgavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KsYJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TP2Evx4WMj8PRWm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "zaaHPyD9CL52vgK+aCQHPiG5Vb+uFkU/Cv2cvzidpb75XIY/shcBwJPOxz6Vgns+1iMYP71277+MlLI/09m/vXPgDsCblwNARf/Ov7dxVz9UXZG/sTnPv6tkIL8cKwFAx75AwGCEKD/aChc/31rHvgzIzj8yRo2/ThBQP+hkgT8M+lG/93QZQJ/xHb9iyu29K7XWP/Nxwz9IO52/q4C/v5RYKL2h/OS/De+rvt+EF0DUhuK/SaIZwNbeuz9xm8i/cAccQCyjtb+YyQE/DFYtQPg/aL9Ed4S/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 94e3c7547abfe0eebcbade8816945287
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7s70ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vd84vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ap3JvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Hawfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nwKkP0McK75HyZu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "KY+QP0bD7L3Fb4K+spDYPgXXor/mlNC+VzTdPkgigD9JLi8+JNpqvyeKgj9ho+w+AYIeQPzUzj0dOgm/dbJsvziZrL8rhya+CWk8QJ4eJD+UoTo+BVfHv+cTmL68Aok+rMg4wOtqqb5a3Bc/9xxoP4i3C8CJPju/5E9VwMYuEj9X8So/ymxRQDO4g78s7Xy/oG9bwDqni794tVw+ie03QJv8sr/S3/e/V7nAv3JYAkBX0U8/SZhlP6IQ8z/4a1I+kqpSQNHi7r+fy4y+sHaJQC7NML8JNpS/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8cbab223192d20eb7df8130f6abe7e44
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rSLkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "O/5bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xf6yvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2H4Cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jNaBPkP/vD8cJZ++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "y6NlPcpNlD5SdRo8BEY4viXKiL8VIYg+zg8ZvdkI/D5M4q2/mHzgvhh43L++To2/ZPQtvh2tzL/BF7U/Y8qkvgMkIr8F8gPAsHjvPfWFvj8Xn9+/bDjhviF3Nb8YVkjA7ACrPkhunT8hU4E/S7ktvwTlOcAUYZ6/ArC+vvA0JsBSBqc/2p8RP4f+IUDvmVY/+amtPhqJRD8S1f4/4LAOPx/YPUDxtSG+h9dbPxn/XUCBW/w/VSZaP+ylPEB3qTtAHVv0PVfbiECpWgFA/E3rP0GcfEABS+0/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 574d8398057e2f5a5539240a1f0e9ce9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MCLkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ep9bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SP6AvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7h8bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kL3Wvz2bZT/hCxM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "8ohZP/eYnL6j7PU8DPNQvhWzIL/CRU6/PHG5v7bkCb6N5yO/e/vWPRPyyL/84/G/YgLdv0eHVT/38ts+5RoTv7Pqjj89ubI/3PuAv93eCkBhPtE+g08PwIrr5L5S76e/K2y3vr8VGED4Dt6+0iyaP0x/A8CBrwPA6L4uwJlcVj+ZN1c/uPM4P5MvzD7TbZs/JrnbP2tnTr+WzvW9RjTZP31xxT6VvQJA2tXEv7HoQUBK20w/6Jm+P/Apej/cEzZAiJNAv9/d578XJSPAYX1UvxHGpD+P5xtA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3f66609a4484c3fda122afed129c0475
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sTXiww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RDZQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Vz92vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bqYSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bZBBv3wKBMAycja+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "y8YuP3zD9Txlef69bMEgPnmUlb/ODli+2ISxvcvyoD/kx1g+poSSv+gUq79S7AU8FNL8v2YHkb7KO6c+RHHPv3JDLcCWv+K9WY+/v/CEeD9Vqtw+zLy1v1vCRcBWnI6/GgWPv/I3VsAhQB4/3e9AwG79Cr8qI/Y+LvoHQJBehTzfTMy+i3MswCafLsBxopY9xw8gQL8Tfb8mFiC/RJ82QEROiD+Wxr++K7p0QAAyVj8d4he/vbAJwCbd5T/lLi4/Ere5Pns+HUCwWqE+49yuP0wJHkClcgM+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3e6596e51c808d6cfddd9fd5c20b7924
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iyTkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yOw8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CvV0vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "d50tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RdiQPpVluL6QoIA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "NIvMPpYUzT4y+Nu+MW3LvmAhIL6/pRA/n03qviYuFj8mF7+/hbDbv4U+Kz4Vp5a/FyvTv1Fbjb6I8pc9c1Uovl+HjT9kIi3A+8t8v3BOjD8kYU3A3psewBFZLb+CQCM/L+a7PtXE3b6y3uQ/RdbdP9DIBj95jto9BB7fPyFtiT2atq8/xrglQC1N8Dws1gJAJtUkQMq7bT8Ky9++MeQGvTFZLz7SPCdAn/OnPt/S9L++wwtACRo5P8QzIsCvRrA/WvMxvzPRDsBxyRlAdPBuP1DuBMC+FUVA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1638185c0187b5dd5efca717e3c0cce1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/P/lww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uANlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "32vIvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yM0Avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ARjPPEX1xr74jU8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "zG2LP1wkYT780lQ92M2UPVK8Zb/Lp2Q8q7XyPgwSuz9Bgg6/giqwP7xA2z7uCos/f2YJPxOO4T8aL92/BrunvtC4GECiub4+q7HSvj7TDkAnN8g/ZENOv0uaTkAgBS++w9h1v7dNkr8yPY0/06lSv6RyEr+CNwFA9fWSvqLE3r8+P5q/Iv4YvxI+u7+cGg3AuCGuPYPxDMBosUw/f4mGvoDOOMCaPgO/UWD/v13Nqb/+e1Q/jO9UP1AyIMA0+8I/oLD8P6SzQ70DJgi/26sOvz7HecCR7j+/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9050cada3478cf16f2b4a8dca038f890
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Oh/kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "g2hNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Qzo8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8lkevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UYPpPmlvUD9MT4A/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "oTeUPzKiFb2uwzE++or0PdfXhT/Me7Q+gsJPPwWnp79KOjq+KIzYvpMe77+Auqm+mlLBv7xGvr/rrYk+yWbTv8OG7L5E/aI/+xEZwH9EBsDRE489Y6FbvwrhHj+9c7Q/jkfQP1kY/b/a4uq+nrsKv1htuT+0rnm/c9tzv2uXnz9+qhJAryAgP/ut+j/CwjE/lvQbwLXVH7/IlgBA8FpkPOS6sj9yiwLAohoeQCTRrj6WesY+qCnKv0vj6j+7mF6/MmUvQIuEnT8jBEe8xUxKQAZowL4Yf1s+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 22577a284cd81e2a31e610da839647df
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5sv0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eNQ4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "D4GjvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VmQkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UaCvvsLA077kg56+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "QIVIP7dzsL21veA9rspavnYxXr8zy+++tUmvPpoYlj96WzA/Ki7Av7UM2r4AYP6+bQh5v4dlvz+qMhc/eIqpP1HT9D+1Kqs/AlEQQGFI0D9jkoc/iqL1v7SVLj9m0yS8I+esvzFcG0DClX8/PDv/P4jM7r6DgN89jwoWQEzM3b8ZpAG/PqYTwBUjp7+ZGZa/DquYPy5vOkCz56g/HUYDQGE8478xLci/edftPxUiJcDrtJS7QzMAwM8VEcBLR5e/SjJbQBkI8L+/v+K+kLNSwKoWlb/pv4G/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8378413861b64ae67a6e007659971737
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+LH2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HeVAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vRgKvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7l4evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DasoP+5aCj8vaRS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ldQCPwcP2z6CtQy+CyYhvx5Qoj8lAWg+2d+lv1zIoT9uDaA/Oldjvw4YC0C8cHy/nTJAPT1J2j/PawDA1kFfP914Qz+3FrS/cGuRP3Kf9L6rSjo/EUjqP+RqhL8NKHk+aQE1v6X5TUDclTa/INz2vxtLBUA2uqe/s+DYP69Fsz6kPv2/AhGUPr/0qL+99MY/3CsWv0VlP7+TTPA/0F0evvi/JsBcfmM/rlBRP0Kzzb+mfx5Ahsn+Pm8xGkC1xyTAz9xXPsVyPcCjKFK+RwBWvzUhT8BDg8A/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6dce5dae43f6f0abc0bc5aa686199d23
username: gastegger
key_value_pairs: {}
data:
  {"energy": "S93yww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9MNovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bhmQvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Pbcgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XyQ8P8XJbb/nqd4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "q8bqPoySxr3xtpg8Qgkfv7ZgZr/09Mq+Yp8EPxHvmj9/mk68rmfSv9xclr6Ju1q/04rRv4LTgj+Sl2m/2IQUv2SG7z+7ZwG/ZZFGvxXiR0Dk3iS/wwvCPyn8Sr8bwfU+V18RQM8YYb5e61I/xM3LP8ZSD8BKPiY/soAewL3yuD9VV6S/3F6CPwIULcBCCRy+0jCKP87jLcBanABATKdDPd4baEBkGaO+pFGdPBOcHsCBzAdAUfooQIF6IcC0qAM/74rQP/u1D8CDFzVA82+ZP3VBc8D4UgZA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2620ea313d23b91f6a87c486650e1e79
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ccr0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H001vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "y7vqvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pvUXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aXTnvu3ToT4vhgo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "SnE/P2PD+L00fS8+sBZ5vhzwFz+Csk0/m9CvPtk5U78tdIe/AQNbv0SBRL+LTcW/NuX3P7hSHr5B2B0/4qypP5yhyb/gY9K/bQ8RQMFTr7/3O6y/eJ3mv6ewFb3Ur1i/dUgQQP1RFj9Ibuk/cBHBvwgGIj/QvpI+jmsUwLpPvT9YHIQ/jZPXP/5jYj7JBixADl0JwJBPtT/2zgFAg3szwCpuaLxGs6C/d2GWPwNb7L8cfSbAFLoBQLwI1D/DS9w//VlUQCea9D4FxgJAFFFTwG76rj+fd1M/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 272a40f59e7a6b51f25ac45b11fc75ec
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G50ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/FBpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pDSbvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qrYbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FR3ZPgEToD+kcN0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "7KyCP1OmNz3jMPA+HanNvi85276/6Qk/T8Ghv2hKMD/Fy4y94fmFPzjOpD/iJ8a+8eBSv8yhvL8DyXc/pYsFQHAQ2r7gC38/7Naxvs6E5T9X89S+ALLwPxrJx7/mPeA/fPiuPyWngz8robO/Y9jdP8nyAkCAmfG79g4xQA114b8yxwRAjlYCwEV3Vj7E6qe/iTqXvzmE3T2ynhvAtibkvoIkI0BCnH4+XIf+v+Evfz96ZjE/8w5Tv9Ppfj9HISTAogYdwH6ASL9Qbo+/MJs3wMPGZj9V2sC/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8eb1dea6468c859bb851dd5f4c37d50b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nCfHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xvhQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CtpkvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RMIXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JvwSPpKREz/nNbY9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "VXyPPwD1D74itHu+sydGPudNPT9w/4K/6HEbP2PTCr9OwI4/9hiJvw9ETj9OTkq/4dAPQLyzEr++xCm/Ycc6P/FJtT9nigbA1+rNv7mbdT13rIc+lnRlv6XCFL+QHpo/7GkcQCTHZr5qYc2/qWwswEj2jz0ynZs+zm97P3okRT76pOw/be3Bv93SpL/fuBdAnlCev2FTFsBp9RhAb3WIP8NIv7+b0bI/wn/UP/AT5T/Lr/2/52CWv7gnXL+IrFRAa+KnPRoSBEAw5SHAe74mwB+CnL94/hVA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 780d1118c8933e9b8543943106fa9f4f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FA7Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aTZPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LWBCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Xp4evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Z9Ufv7n8N79hVCI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "seCFP06+QLwYli29YeEuvSbqUD9aOWO+hXadv2f9KT+r080+6C+/v/IJ6r7b960/aJ9ZPzxVpr/N0A4/pJDbP8DwQj3XuEy/AD3gvnHxxr+PT6U/EPElviEHEsBDtpy7JXXBv0Dbcr1InBhAU5y2viV8CcBWkwxAPMcfwAvjX78j25g/RO8OPsyS9D95IZi/bXsAwB/usj/Bt2E+NUPhPx232r8MB3w/+bE3v4Fl+7+vjmG/xJqRP7fOAkCV8e6/GPw3v4DrJkBQNqK/bqSHPRDUVcBWKeE8", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b20664a53fdb1b9ffc793f637150cd98
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3AvJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aW5Vvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wt1ZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+PYevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aqRtv5BrE7/mrnW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Vb5LPwTCEb7P6IK+CJQ9vh0cb77Klj8/f0oFP5/3Xb/P262/Szn/PzxzMD+eRri9Ev9Uv5TLwr+Nzp6//rarvwFmdb8WDds9aRsuQN9XGj8FRW2/9aCYP7Chfr/uoAzAlfKEv0uYej8C/Hk/Z5wav1BL9D8DMRs/InALwDAhsT6uJws+lDC/vz3eo79fUAXA7daivxZ9jD8wWwJAkmJAv7VkJ8DDnJu/dyoMQMKctz/+blg/kWTev0+63r93dEI/GcgSwBoGTT8U4Fm/IjRKwO8wkD7ZSBw/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8c0830da2f151e1596d4eb4e02f2af30
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mMb0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5l1Fvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YtyNvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WqIzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HLadvqlNPD+rJsi9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "EFOcP3USP77YcFs+DYANPjyrAL84XVC/6rhlP5tRsr5F+cM/pC6Tvr9PML8fCApAPSIXQO78HT5zKYm+YpG1v3gDi74pmNY/713fvzjG9z4RKAE/f51DQBLiyz5BLt4+s1LWP4sq4r4OtgpAoYyBv2BF9z5S/SS/cgMrwARFhj9U8Qk/L3eevz2JoD9y89y/YpB/vhM8wb9rjBu/od4vP/id5b6kfAbAykXOPyUOHr7jFfm/hwUQwETrBL/seRVA74Qrv4abij+3oiLA/4T3v+Af/T9/KN2/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 932b2832bf4d7cff296a5e48d1e2e514
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/9/yww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qYVCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2V/2vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rrkjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QPbaPqAaJ79ssoY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "8iZQP1k4kz3RFqG+X4eZPUStfD9cAFu/MQKev7xthj9uYOy+GomaPvS+ar8dWyo/n6Hvv+Msgz5IkOg+Fkfjv/3S5D+ALGG/Rv+Dv5l5O79QN3s/n6ZGwDfU5j78GD4/t54IQMW+EL1U4B2/RLi5v4mHrr9J0dI/GpEkQE4GYL9854m+HHNcwDyfXL6lJrc/2j8vQKABPD/fyta/l9OKP35/6b9LpI4/duIfPz8GHcCK3eI/UAgRQHrJCj9eqCnA2kMpQGUr5z+D6by/jwVzQL/J9T7CrN6/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4a1d996736d1ddf9b6ecb3e58bdef5ad
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pdfyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NC5svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dXPRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "enQDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yXEnvQXFFz/CTPu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "1IqKP//Ubz1JFLO9YVeBPtIAeT/6+f++2TKDvyiBVD838R6+pmg0P4eZhL9Dpy8/BrgBv0L8lr/7xoM/kjS+v8Pccr4zpR0/upkiQBgBAT58w+2+/sr7v6mP6z/OAxy/k1YuwHMup76eXmk/EftIQKNxVD5qnOU+LWE3wEUDlb+nzbw/xSq0vzWuJECc/Ze/e/kcwP58E0BSWIE+xcsvwAF4rz8mcJu/6gQtQLmxhD+WzoW/i8BBQOAHhL8Jq5u/k8I4QGz/779K1Sq/avIeQIMKk79wQATA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c1e3f264e440b359057e1ac107de9739
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zi7iww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fNRvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hSOIvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "usIrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "w9gSv3wnEsA/jBA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "TrZqPyJRYT6i0JG+I6DwvjIQo741axC/iaKYP/Ltuz+k45G+5dPrPXPYFkD0XAq/wWLjP3prZL/lxaY9GiKDPx3+/r/+E34+2DqIv+yF/j8gz52+Sfs1QOkmTb91mWw+7Znrvo3q3r8Quog9MmKzP9ybPcClBA0/55uov97pLj8tH0o97y4UwMBECD/ysxI9QpNjvy/gHcABPyK/l4Kbv6Zh7r+WgbM/rW5cv7rbj78BAAhA5iQjv2+Tyb4CW9O/HpwSwPz+27/c+KE/nLiIv/f/NsC41Ok/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d788a456f9ba5bb3a197690f4be3c36c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SSbHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fLRIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6ltmvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vU46vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jQs3P5NS0D0QOxM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "3WyNP0AkLr0Bs4U+GmypPba7gT97jjE/N8R/P+4RSr/NMUu/VeYqvubOgr9BbLq/VlS5v4pcfL9tZ3q/jfvpvwgmE78THq8+7VOQv1CIgD7Ai5M/wwgAP5Tzxz/B88U/rOswwCUNer+6VTk/vCy6v9wJzj7SRAtAhROcvCXRs78pvx3AP7J9vlgdAEAXway+hzoOwDnwsr+5I8+/imsNQIgiLb4zYoU/IRocQNcQBD85kN4/tcVOv2GFxz/TkYe//ukZP6btFEBbAku/5uQ4QK7cX79xf08/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a3b2e70207753f80e5cd1a9cb24181b2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OQzJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "I9h4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RdWPvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gO0wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZCOgv948Hb8mAXI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ZJtEP67vgj3OzAk+c/2LPi3pbz+IsyW/QjgRPZQVQL8jBZc/LSO7v4TzSr9dVXc/XFyDPp02nb4iWQpAcToEwK4Dcz4pcUo9nIKSv8NQoD+uJhq/H4jsPux74b/TmJs/xfqcv6vHDUCx0Z+9rYcAwKiEmr++0MG+5Cimvw0tvb9mrpO/1H0CwEgpi7+VH+s/ps+6vxKSuj/u+NC/ZqA7wAUO47/Ep86+7rYQQOZqOL7kZE891sJCwJUKIT+7baE+zuUnQEvKer8h7Tw/WFZBQPmZ0D4kWyy/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bf64619355add29ae848f097084bb92a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+MT0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qyIsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YI8JPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "obs0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Z/JtPkJbzrxCIVq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Po5HP80reT7YfzW+fMA3PsI/YL9T0Ee/osz1PUHHIz/VCo4/20WQv2YW2j4suqg/ykbpvz4fhL7j+54+ZIhsPw3Npz8swf8/jHqYv8P9b7/xhym/pJ7bvwIj7791jsa/Fn21v6m53L9xmyDA6Bu5PxJYmz/vp4u/oVIOQCJxiD6KIIK+txMjQJubBr9rok2/01atP9tbgD9ovgnAXrU5wCr6kr6GOMo+Z1PGP5SKEEAhQ1G/wi0uwCKe+L/03b6/yIL0P4btjT/vxvU/tgsOP+/Msj88sTtA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b1d9734319c29af8aebd55e968045ced
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tMr0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "q3kuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2QmvvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cJgYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "by/ZPl701b5PI72+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "/LerPzifsL2IvnY9iW8dPyMcQj8ZB2Q/ZVo+vzVsVz/6alw/lOs2PxwaV78Pr16/eiE4v76XR7+U6Xa/JIy4vyqyrzt9DPy9TsG2PwiZ0L9/5eS/sHgZQL+i27+bCcG/OgU0wNijuj3IFJK9CsIuQIXofL1mj4I+dRxJwPQ7ZD/DiOc+BzGCP3v5IsA6fvW/RombvxlAsL+Cldy/WBGzvy/Wzz8r7tA/sr0+QILHUr7EVJ0/DC1Gvzl2CUDxiA9AGNFJQFh+UD+VtCe9F9FUwIpaBb5J0mi/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 32ad861f074e5f6db2d38ceadaaf4034
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/8T0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qvBnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EalpvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZoYtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sMmCP056jz5vKjK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "/5AEPhxVGD2XcOK8kt5Kv1ERDb8xBG4/Zjb9vqYTzT730pm/3LKuP6vFGD4rq5w+KXIGwL4vLL98PBY/BCCDvtALbb/4fwVAyfATQG6IOz9z3yC/v+MxPzVdMb/5Bv8/9r3pvwREhT52IcG/EWYlwIiyg75FiiO/cEIAPZZ8Uj9J3/m/FV4AQGLc4D9IHWe/yHM1wMH+jL8Ew6A/HWEVQNlyHz7J0Mi/QIttQCi6RD+RC8i8o9FtQBeFrj9qgGQ/sGmBQPDId77yq2g+GrqNQNRKmj9Jhzm/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a219d0739eb71f92816968c6c5844c09
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+QXmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Oq17vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+5SDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vOI5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1cocvzjzmz8qV9g+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Gao4P9/ejL7qfqC+DMoKvzVxcr8zq0S/WOHrv7OYZr6OZOG+QbbhvwZyFT/Ohls/EygsP6+mXz8CH8k+3aEDwJ5B5D74YqS/Akz6P4whZL8Q7Si/dRBAQAlktL/+K3S/tPZ6QIzQ779VXJu/93MYv33VyD/w2Uk/Q64GvyrD/r9CG7G/LetQv5byFEB9m1k8OljMv2proL2HW9s/b4fLPyntrT9WDDY/7Z2tvpOUDUBa5gFAUtONv/ahL0BvlhBA1u4swHtRjz9cmIQ/WAspwP81eL/SQ9e+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b529009e9afd5eb202f636e07e1ffdde
username: gastegger
key_value_pairs: {}
data:
  {"energy": "i57bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WB9vvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aR3VvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pJAEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8G3avohjzT51zRQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "gRzJPrUc4T3ytuW8FdpTvyerab45MV2/4N0KwJmpqT5XGuO+AvkCwNaRrT/zNLO9TuV+PuvIcT9pTm0/ANgyv9iBc78Wu+q/OBnWPzWzFr9asdq+tturP6pirj9mVOQ/obYIQAiu7D89hJo/eBDoP0xwAj/MNhJAelXIPyjSp793eqC/W2gzwKG5Br+HDys/8VEMwA7UAb8wb8k/xpI6wCdOyL/XrLA+gZ8zwFHLpz4iZaq/MdpywAPWEb620Ws/jvFzPzq1A0Cj3SFAjhovQHVsxL4lXus9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3af59dd4f762e0cac6801da502fde233
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7wnmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jzlvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NJyyvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "desVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6Zrhv0pBVz/dzZO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "qIG8P+A0Tr4Ayfq9hTa/Pr9MRr8DFFA/meGFvxFKvL6NwQQ/IlstP3duv79pvt0/U8SDPxQRuT46SbS/3e4oQBzegL4ArlE+QruEvvr65T5BFuO/6r21v9BcIz3wnW+/GMLpP2YNND+W/QPAgBe8v0j1iD8nq3s/9goOwE3woD9rHLe+cv4BwIMbL790Eb6/fMwcv3jP3j+x74k/EokGwDq4DUCcnl6/ujJSwLn3gz8Q+Yy+rEXcvyJ2j78l2G0/FVgDwL8Gjz/xk/M/I0EBv+I2YD+Yty/A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 87b86b3c8d03b5ca4e5696afb2f96621
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kxDJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9S9Zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rIwGvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yow3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/MYPv7wiGD9UACQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ZfcWP7hKsb5QRYy9v4b0viuy3D5rqEO/2be8vxHwXz+NTpk+yFNuPmfFyb6Yh68/V4Fov3rXlz5Oe8k/NIayv/Og3z6SFSJAKiBbv7YlJjwCAQvAfZ2dvfsVoj8bavu/Ri2pvnXcWb9RdyTAcEPHv7Xx+z9KoLQ+jjjLP5GtV78xgw+/mDKFP18xj7+nwA1AMyMfwBAX/z55v889cFj5P54Xqb8Hd+g/GAJ6P1XOoD/zKg7AGJfzv1h/rj3bYRzAKL4Uv8fxDUAM2gXAw2OIP7S9Wr828ktA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6e54f34e19810337933f2d18a73bd543
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ebf2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/OFnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uDyWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oMMcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LxfFvwwfuT+HbZ8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Qh90PxsuFj10rSO/DT+HPrDGpT87tom+DjVqv6denz+g18Q+oa2CPukKpr8S5a6+HK9sP/jBG0BBdiy/wVcDQJAQST2x3JO/a09xvwzqmb84YJw+FRryP6tZEUArfGu/qUI/P95YUkA3FC2+su1APwvUFsAmaCm/3GvRv8K1A7zFlkA/NDL0v1srqL2KLRFAsw2wv/kRBsD5/gA/nk13v9UM170FnDRAqhS1v3qLCkAZQS0/qaEnwHkZjTzTQ4E+bD8fwJ7ySD9xFCZAvccewO9Ne7+T1SBA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c999a628f96b75df7ea88907e3c9e3fa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FyrHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WaVUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qUsGvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bxIzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Rl+RPlM/vz4TuLW9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "P74bP+kz873H0Yq++z45vmndo7+fqyS9dvwaPnwxkT9omCM9ojK8v7Czer+b4wk/lTrpvyO+mD7lm04/qUKCv33WsD/QKhA/nuCGP7RpE0CZ53S+2mKmPyYsGEBFyKa/JpUywA+TBz+PCZ8/suadPi9UG8AHd7W+GwX4P8FUnr6a0Fu/X2u5vgo4SsAeSAq+s+D/P2VLDkDq05w+ZTIEQC1VsL8I9oG/mMgIwCpP57/4UD8/+gIBQCeQXD5NIui/VrItQFOmcj1erzy+AkMJP/5XTUCFwJI9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 22622a138f31d532ee613fc0513ae73b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QinHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VDYsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Q+bKuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "It8lvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0PLsvm/1zL7gEM6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "FYghP/q3Ur41mRw+eRJ+vkP8kb3ml2C/EWi9v3WAAD+dFSS/o/kmPt1q/b4UkQfAOtUTv84REb8q4jLAICLiv0tFbz9U4Sw/8r2oP2bXq791jxXANaNgvzD7TT+W9dk/853VPup1VD5kKb4/P8OOv2XpkT/cFy1AzBMMwHNQHj8rgrm/wrcPQAI7Ur9pxQTARI2jP4NLEsCcD+O/cNPEP2LpH7/5ku07UfyvP+GTyr/WiVnAohIvwMdssT9dEF4/VMqyP14+Sbzf4RJAIZmTPzIvoD4pmU5A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5222c8bc22ace0320266f5ca8ce6eeff
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2xvkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gzN4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "003CvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mgwXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/iaEvljKkj5xOLM9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "0I9fP2M8U72modw8/fcevocujj7hCoG/Vi2CPlSKkz7Caqs/sRfTPl3Wj7+oeG4/UdGkv24bOT9hTdm+ZatTPSy24T1p0xzAp5u8P8Ti6r8MzNE/8hqPvxzSUz+EgIU/H69QP1pLKD97JQxACFUNwDM3ej/PJ3C/GCuMP/SqiL7JEDzA+fgVQJlymr+1jPE/BzD3P5OyPD1UBj2+ZtTyv/0eqD8AkPY/2sYxwIhVzz+ZhMA/aBNTv71Puz6xXEXAvxjoP7LCKsDGT4I/R16IPzJ/D8CRWiRA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d4b199df2079b36eef59197118fd7bfb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xmwWxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ca5Rvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+mJvvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "stUVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "swxpv5PGGL+/1E+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "xAacPkelOb2T2re9XybJvt+XVD9UTS8/tWupvmKpib+H5zK/v5XWvyOppr9b9gW/clXTP9x/hz60TLK9AGvfv2fGMD8ZT2M/md3rP6lGoD8ap6o81CQWwOAy/L7bznE+691qwBMcLb96RwQ/EtxKPqjq4b+my6u/trYVwAtWwT8lR8U/OTmFwH8J6D1v6mY/TcUgQBV04L7EjYK/p8mFwKmQqL84Iou938cfQO00wb8/JEm/egUMQPQWrL4ZYgTACeR4QIw5Jz20DWm/ey6fQAhX2z7vQ1e/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dad72f897f305b0da0a46643b543ffc0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EMj4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FXE6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Num2uw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "y7k0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "52+Ovz/GJD9Q36I+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAkAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "1MmGPyQJ1byT+2m9I420Pg29LD/CGV0/vcR/v+UFNz8ax3E/GKC/PnbKTL8IfIW/FekgQNTM7bxybMO9Rt+LPzHZrT+l8N0/v1Hev6nNJb0bSK+8k9SHvxGWQr8+xXi/cGm8vxY3pT8fCN0/JHVHwC3iYb1D46M9JZs5QDXLGD+WXjQ/4hWRPyMmt7/p+O+/0kTNv/0qq7+4Kdu/Bf0OPwW8+b+xKCLAJgk4QPTZhr+/lxI8YnpiwG6cPz+R1wQ/vYNnwL6zuL5eez2/nWo2QDporD4lm4i/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 16e924ba4febbfc681d2aefc4f6009c1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/SLHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JxRyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NPibvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DRgkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bm4Uv2Zr3T40S8I9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "v7PSPx7D9zyGXpk9yklqP+QXjb+rEfw+VWG4vh0mlb9E06Q+juGEP2bvkT8i/Qm+odPovsR2pj85wZa8TpbtPwB/FUCMQwS/bQeUv/oMlLzFVz6+8hQVwPg1jb00Ji+/5FCGv58THcAvqSs/R2Quv6BK2D80xnw/n+PYP37ySUAaaUY+0TOqvmRKSMAliJE/GdcrwF2Ng78C7y+/jBfyv9w4EsCBxaw/l+tXv6JvAkDWUDm/0lW5vyBTPMDs3Ge+gCjHP0xgLUAgTcC/Qoo6QF3tBEBpTwi/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 14a3fba3e7f56e30ae699b0b500c3f10
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Wyvuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RN99vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LliqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LbMovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "L24DvnfWhj/c1wG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "mzOWP51vKz6E2q++GUM/Pbegj76/8xc/AcWAvzoBKT8zNDI/nhNeP57TQD9Sfdm/8LMuv5mC5z+pUbo/jd8DPyxN4r6Zock/7bgVQAvuFT34GgK9aGHyPTGXGUAiOX0/HPODvowPFz8e4hDAVUfeP6XboD9REgnA75i7vt5VxT9EUx5AKbTKv2X8GkAvG8E/SVsZv6qczL/o8BA+qcmFvo6Sfz8U6EzAVt2Hv8vWuL8MOFe/kOkuPn2zF8CZC1w9vuLDv7q/AsB4Qo0/46kKwBTLqb/wi5s/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ffdf8628da81a81b4c7a607fbbbc49e4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "x57bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PSh4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Q3OdvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nG4pvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TfO+vzHrNb++TT++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "IFEcP9WUDD1JKp++rC0Bv3fnKz+T5eA+BuYsP4mxn7/PbTi/8unNP0SBwb9p45u/K6n7v1qErz5TxPk929uevuaCFsB+rQm/ZrqIvvJ/wD/9+aU/Xm8DwJ4sa74n3E2/ikAgwPin574cmp0/G7jnP7P5Zj9iNQi/0F3gP1k28j/dqC69o82Nv9JDB8DfvSs+ju4YwAJJjD29KAZAkXJAv7mzJ8Cz6sC/hk8xQD8IEz+Nlpi/hPsdwFzRpz+k/968JelYPlUGUMDVmUO+iPpfwA82Gr8ulI0/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3db13f8f7cf97e3feb3c819b943428b4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kb30ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "r7Mxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MuhEvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "onkAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "w56KP8dLFz5s7OI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "9sESP6o72D5DW9w94RcevzhezDowjNy+fM24v5VMRb/fDNY+CdaUv6eIpT6hUNu/pTiDP3TDoL0Hlqs/dEe7P0iWoD+L5AO/AW+NPx8A5T9V3KS/bhsqQD9+4z9Ry/09SxQFv65aej/+fRTAg/PaPrNtkr9KPd8/vqZKQAp7ez/vpyo/6UUTwBut1L3tfAjAX2McQHelJUDQO1U/YM9UQPtFCkAVzia/ihYgvylv27/Izos/vYYewEc9fz6AtUTAqRGev33iFcAqbMw/2hBQP7Si2b8jTCZA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1461c11eed38e49d6f3e38320e9d26a3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TLX2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IxJVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9lxmvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5nobvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7xsJQLYtyj0c8Nm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ymMCP+u1uD4AYP++6TyRvs2AA7/5BgI+/6nWv7sFg77ZUK8+M1EGwJBhgz+oECy+bb+mvyQh7z/e6ES/mpL3ugMByD/d03K/DixJwHpQpD+KK+u8ULHkP0NOdb0s8iS/flETwO4Jjr+6Y2g//8ghP57qEUBzXrq/bqUbQNGIHT8HioK/qkkVQCupo7/OkVe9mwvMP7iwBMDJhjK+Rz5NQMP1xr9QACa/S5ItQMLFkL9MJLY/a4rqPxjyZL/7owFAZf1cQJ5Xrb7UGsg/1udIQGhBBMBK3eU/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 655b4dba989520af0704ff1283b98746
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TLH2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "br5xvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1bLVvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BOUGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tKsAP/wY8z5yM/y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Fw41P2e9rj7kAYY9oEbyvZNluj/4iQK/Xxaiv/fcmz/zK4W/+Cfav1R1/r0aB46/i7OHv4JHmL9m91e//gvOPlONNkBlZsS+aJEuwEglYL5Rzru/2LmbPlAMh7+1Zrm+0PESP8n7RUDQgCs/uxmwP3tJPEChn2C/84XPPwDMED+7mVY/dqcgP3z5BcA5fzw/nAvLPTcL3r8MLf8/gXgqP5aFhb+inhZA9BZ0PycCp7/xPJy//1knPsxlQsBhfOM+jNqbvoOfY0DxC1K/uXvbP9bPDsBZ4Uc/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7929f0b3f279fcc9004ef246cbc0fa24
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GSHkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5X+Cvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "v2TDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ak0jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "D9EovkzDGL+nrhy+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "PQ3CP1gOX70t78k+BWckPy81pr9aSkQ+1+A5v589l7++0VI/BeLPv0kXm75q0SI/iEp7v5Ym/b9hicM/YI1/P26FpD+dAlE9KHwqQDiaPL4re0Y/qM+GvsQ80T8Zi3i+cuC9v2/oTT/fh2W+aYvjP8OfAkARybk8PD/tvoAKKkDUiQy/CK8dwM+amT9PonK/okKXP1+bBsDPeDI/KnJQwKlEET8GG0+/GVcMP2ZO07+9Hqi/+RvePAzTX78MP/C/763GP1tI4r9+Od2/0wsSPCvdJcBiaLm/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a15402c22ed38a80f03cd03846607db6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UrP2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "X0J1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ps50vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0A44vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qvFSvbtEJb8dlKC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "si+KP9X65bzxhCo/AE7ZvNtiPL17h9k/lSulv1mWrb4x1Gk/YMhcvz/jLb8BLgi/IZwbwMmIob7oNqU/lvASP2Q9EL9S7wW//VbJvWIzZT/H1g9Al4kDPnCwVr82JRxA+A8QQLmxyz7GVGY/5ohNQEhZuT6a80O+tWJVQDDyJb+9+xu/u3zGv+Vwaj5Hj8W/w/KAPzxDjr4XCLK/pkecv+OX2b8/bz6/qC47QE6tgz/YfIK/rS5xv08lYD8UzRbAcu+FQLQjMj9Dvy8+QAQqwG1nbD6nAb2/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 10500a8b7e8db4deed04c421fc324222
username: gastegger
key_value_pairs: {}
data:
  {"energy": "25zbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5q9wvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ic7DvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1sgOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "10zePse6mD4IyTK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "4wg0P04akr4uudU9ZREMvzvEKD60hTg/dr7Kvx7U7j4QjxY+HJe6P+0GEb+gDlQ/QVAwP1cCh791iZy/sKucP/eCrz4IbZu/GrkQv1flur8uouW/rngQv5xChz4rURBADCwGP7tlvz+lRPK/HECovzpwVr+52MC/sC4Ev9hEuL8xtTPArbMPv/lPsz8vZu2/er0TQO2n1z4V2Zq/FZ+/PjoV5Ttinz1AClJLP4KqHEDnvLa/WS7Gv+exGj9u+ShABtm3P8wF7L+iyqC/mcRTP2OBxT+xazzA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cadc56325c09b2cb7c2aaa526322136c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hbT2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "U1hZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aryUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HvoOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "X0HSv3XN9D45l/I+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "YYdXPwmMur3WYhE+VrkGv9ETID49+Ec/qkiyv1lBWj+n/WW+Tg9sv0anLb5+yPA/AMc8v3Z6cD+sM7W/iMwmwJDFoT9qqjg+FwE6wKpTeD9vhow/6YtSwA3J0D8pSeq+EM0WP4VSqD5gj6q/WDyOvwJpsD+LQxXAKO6zP7gAtb+eyo4+JNPGP0suIT+gkhE/V86vP4skKz4BeQ/AeVlBP5mQB8Cs30+9KbD1P75J4L+LPc0/Lh+WP9/Z278zIhpAbYAuQGlOh7/q1e0/AlkWQHNxMMAylsg/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c7532c2cbcd541cc51face15e3835ef2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WDbiww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "m6xBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fzDwvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "i6Yjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eQHyP948lT4uygQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ioZTP9loQ76+WNC8DPyLvsFhJL+NCT2/NeAqPw4hdD8ZdVU/86QDQK8z+77zNDy/UHfJP1y2rb/iN++/6ixIv4uyeD8Q7qI/k0jBvzcM1L4wc+m+FntyPqpttr/eFu6/P51tP7Y/9D8JQKw+ew/Svit3+r8lqyLA/M+pP7pbXz/8A9s/PosiQELj3D6DSY2/v+YPQF80678iFyTAma4yQJfsfr/bObu9Ra/fv5uKrz74OzQ/6sOHv9Zj6T+E1xRAV5C5vsg38D8RcUNAwzMAwJUB3D8wZitA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 36b7e8f9efcb594a2930955f94172ee4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zq/6ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OBVZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Sbk7vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5iYqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WK3MPlx3Kz8g0l8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "wPtEPzdpCz2JgMi+FTsQPureN7+aaKW/qDyhv0Y2bL+8Y56/7ipKPgYELj+LeCQ/IKGdvzh5AT/kPTw/YdF6P1d3wD+s9dA/xA8EQEz0jj2NqCe/dlb2v/Y9fL5wOBa+UoXgvxX+gD/Pl8U/kWjpv7g/07/j8QbAka/7P3vw3D8T5Zs/l8A/wNj0wb4noLa9yGeTv103AcC58jHAKevyPojxHUCm5uE/j6KRP1O8UT+m+D9AqE7YPxYg9b2MxzlA+14pPlC0Fj8AfVxALhjXP4xiuz9gmGxA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 31cafd05fd45e4b1281974a13d6b456b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iDTiww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cqOAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WrmXvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "N2o1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "o+mYv0GCij987Zm8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "XMyiP70h0r7yL7C+YvXsPho5sL9m6/o+KlqcPxAQdT+TngS923hpv+jehr/e4mI/lDQZPlHv0D+dtXa9LRoEQFnTY7+RO5y/QuImQMa3Cr6+1dK/dptyP8M6IMBDxFo/eoWevzOCkD9Wh9q+2H1RPrODLEAndT0+U+TTv9+9kLzWGPY+ifMrwH8jJz1XW1I/X3aWv+tCQT/mwrq/4BgKwKkiEUC+AeS+dc3xP/e/JsDqiO0+jXitvyUL57/lLsQ/dpUZwLauIkD42gA/vc5BwM3TAEDlZ2a/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8624d0834c152387d1d66281be5b3e81
username: gastegger
key_value_pairs: {}
data:
  {"energy": "S8j0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Sz9hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZykZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8fQ6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1ouBPuv/lL+l93U/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "agRMPw7hgT5YTNw9JghxvUithD+IEku/+6iZPTiMUb/LuSI/v/kAQG8GDD9WC7A+ZUCfv0qth79DjaY+X/sLPyE0uL8uOaM/EXv2v161ob7pX/a+/TkwQC/znL5eaaA/lp2lv7uVRj9WYoe/B6PxvzDvD8CLiHg/8TkUQOtOpr6S+BBASTauv7IPS8DvOjU/zxo0QBjJrL8Ix2Y/Ejfwv3oYCsBvAARAi9g6wLpjFMBtbyE/XqdxQHkOgj3+m6w/MW0FPwA6BkA6BK+/3WwmvkQdIEA/G/a/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 211d69c5b9418b1ec24d7b06b401be82
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0mq2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2Ec3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "M1JvvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tVIovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oyP5PdhHp74sDme+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "CtuZP9tuQ75uAn2+I10ePkINpL8U0iu+QCmQv8WCz74Hohm/Edn+vu3OcD8xL4G/MvqVv38ZVbwF0Vw/Q0ssvh8KeD+65wY/i5OhP4HJRz/xy2Y/U9xhP/gTGz+iEcW/fQGTvznt2j8XL7e/vHMBwGf5WL/oF4a/bT21P+dfvj61vfI/SqtmP6pYHzsg5BzA8V//vstMpr9mYp0/pO4FPt9vo79zxwdAKX31PzIA0T9LLjw/TDvGPg7pDcC2rC2/2x3EPxqEvD/FBde/P0ygv/RHBcDZy6s/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 725941b40f77759d1244bafb05c02c9c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6hzkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XruEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hCnKvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+mEkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Vyb8vcxA5b4bRwS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "3PxtPx4Hgz0dak8+Afy4vXKTX781W0I/HMFwP6WGwz8KDRU/jQ/2P8oRHD+YRpI/BV80QK2aMT9LdCs/4F92v8iW0r8fNzi+P8Bdvc8GCUBMRMQ/6tWLvj5dhL83uPk/hQ2yvpeQtj9sZBNAzuOhP/tqC0DuKGq+DcmgP7BCG75nKk+/HOmlv3h+sL/H/Lm/lsu3v9ysH8BHyJo+Vuhxv4a7HkBg6H4/xoDJPvegQEDUpAFAehFXv37Wkb55cQ/AzkkBv/DTFj9oNTvAITIAwKTXAcAk/vq/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cef8354db9eae228aa967472c55d20be
username: gastegger
key_value_pairs: {}
data:
  {"energy": "orv0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3WBYvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lN1MvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eCklvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NSklPo4j1ryBlUM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "qtQBP9/lvT5uOSM/DHUbv3EXpr5azY686rnzvge8Hr9+xaK/XdHRv+oMqb+LFNq/hV7RPi3Joj8lmOY/9ofLvy6xwb9fPkbAzu+7v8ffFL9U+l/AIGM1v1Ps/78Ej1HA0mPoP9CGrz5sr54+3vLDP7T94j96jAtA3p/av4z9H78SUjs/Pvjiv2YNs75prdg/mSMhwL44gL8W2oo+oOYQQGRfY76WDv2+IGQEv0saxD9s0xNAcWEiQBQAnj/bbqI/l5JDQFsWBEDo4UQ/NMVTQKV6ND+fCuw/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 47c71870062d3d6d2540515647637e04
username: gastegger
key_value_pairs: {}
data:
  {"energy": "96MExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EY55vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mSmtvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RPkivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qWqmP5xtJr9hw8O+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "xyScP7l+Gj6+CDK+7tYHP6LCAT4DCpg/XEyIP/q0jr9q9IW/qSTrP5bSjT9ypBW/pVMMP6JHCMB5xxu/GTNov0KenT5gyYI/EPnJPwvOdL/mFRLA9wvnvxPMVL8EHZY/dia0vxIyyD9Nw04/tl4av6inFEC8C0I/NwM1P0qVVL9lH9c/EkclwP5G6z+nti4/FewAQD6TpL2VciHAGz7IP6dZ3L8H4jvA5YV1P5SSbj8aGeU/PObBv/lH0b/U+fw+He7iv9ycmr8B6AxASBE0wBg7+b7Et3I/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e1593c3c64988a6556415635925be673
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ip3bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "l1d+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hSKdvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VMYvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uhQfP8Ec/T30pmK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "MYXRPsYmsjwBk+q+fsc/v1j8Xr8eoOW9AVUlP3tHjT4y+OG/HRSlP4yEEj9t+hQ/Y2UOQH9Kgz/fa1M++WBevQYrPr7ZUx3A3vO5vwLvNL+ahJ0/MFuLPwnHDD90guQ/mAjVv+wWIT9wZ88/zDxgvwNfob/fOf4/NoTbP3pOjD/z9xnArB1Uv/n5az8khABAUt6Kvxv2379CuHm/HJ4bQGFRxT8j09u/dMwbwOrOl782RJM/NcGgP8qp8z8aSj/AtM8QQLke9T5QLkjAJx30vxozEcC/aii/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3481140f5ddd98425065fbf1b2dc2368
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mtryww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7Sp0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "on63vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nGsYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4dGGPkwa076w/s+8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "VQMTP3WSkD4rq4m+TjWWvokdDL8ZaVk+7UfPv9px0L7qUUG+dXPqv0KkKD+XG4q/B6AnwMp1jr8C5Bs+4LCZPr4qqj8ip5W/Ohdov4b5vT82rsW/3BkUwO27679emUs/7JoBQNXHST5HzNM97m8TQBFSlD8gJg0/AlMxwKi3VD9n0rS/W+QlQKrrBj6QaVW/LDoZQNADcr92/IU/saPsP16wNr+EvRhAg6lYP1ELYL8iNxdANCMFQKAb87+BBRg/Z+cOQB82sr/OUEJADRFfQAc6eb8xJZA/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 19c321c1203c131cbe01d157f45a3da7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yZn4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jwBuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Y2GovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3s8Zvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "R3ekP4uJvT6EKpW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "nsctPwuMGz6oWxk7J87AvsdCwb7zmGU/rQnfv+7af75xbxc+u7VxviSHZr+c4/w/wgm4v5LTIT3H6qi/U1k0wEgQy75Cfyk/qlAJPaMN2z586a2/qV/Pv8ApYr/eFfG/jjoHwEgqTT+YD9y/HnrcPhrayT9o2v2+0n+tvoVPC0C5EJy8244FQI4As75o5Ew+1RKrPx0OB0AklUG/qx0ePw8Aaz5P6g/AxZUFQMyBub/Knyg+xJobQG+5cL2O7Zk/uxQ6QMykTD4dxVG/qYt0QBeXIL27ByS/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b73ed20e9c4fd624cb4aa58c6c994c1b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oq32ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iBBnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jgPvvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gh3fvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "liYdv8H/Br+RuPc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "yeD1Pjjo6z0iuEu+kLI7vwDifj+PMLm+x0fiv0bQVD9sEIE+Njy6PtJtXb8i9Tw/3UjKP9/hhj5ZA1q/4EQ+v0fpC0CR9au/ceAfPgBvI0CJawPAKSXDP9veiD8IB7y/tdZFv1QYzb+Fdag/T6vDv0318r/z2BQ/6qrdv88tLEB7pae//2CpP0Da+b+6s3A/gznTP8suGsCVxcG5NsRiPtKOLsAxXds/+gSjv+Ygir//hAhAXZwNQE0s1L8fnMA/l5tsvKDhbcBBX6k/cY3MPpc3M8B/WTJA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2203e8f41474ec962b9655fc72268889
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wMT0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pOJfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HD+UvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FsMVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BHN8P3sU/j6NnIW8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "HF+FP92HhL705oM997C3PtOkpr96Nds+UFMPP6Uofz8yr6C+wFeGv7h0kr+ufrc+xF83v7MJkj+SQbO+kSbQv2+1zTyt95a8ADepv7XeHECPnDu/H/I4wGCMLz5PHK29SIVXwFpuMb/PtTU+Jq0ZQEUesb7pm7k87rE3QM4uCz/puJW851EJv49RS0CU1HC/uaT8vzjYM0AxRYw9vYf7v22kFEDV1M2/vttGQPN2wL9LYQc/XXIxQJa2GcCwmV07N6c7QAni1L+s3sw/dZ2FQLQhr7/66rU+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 413ce3cb9331e669db23fdf73bd18c68
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uyLkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "INM6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4e4svQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aJcPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RGkdQMoV/r5jl6i8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "022pPq984DzYn6E93C09v3DJ6z689SW/5KcRPhR9Hb9B2qE/fVuYv7B4Xb/86No/NGUEwHK0jD7Vo36+ELHJP15Zsz6YtRS/TG0QwJjo4r44dn0/pdhAwChaOj+s8ni/N8Grvz4zsr8yYSlADOpRwMQsG79gXqY/D9IwQGfNZL53fpi+pMc0QD8tgr/70eE+duEowGkOmT/5J+a/T3l+QLXKBz4lwFS/fUB+QHSvPD+gvNG/GRt+P/5raL8dmu4/q7HAP25CjD9lFq+/j3KWQOrQEL8piVi/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ec2414f4af0cf71bb0c4490c95c7a4bc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+CjHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7Z4svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "K8O4vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iIYVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "prjeP8HF+r4mNic/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "K3CDPzqoRD0pt1U92K2aPhzS0D5Ojom/ivuKv482rj4NoZ2/IaW2Pt/7w74rWJQ/lJuJv5v/776JToo/dIF5P6rSKr/1kBlA5xLhv7jOD77zySK9o9D9P6pJOL8qaBZAv4w1wCQOWb6ccca9PAMhQIfAUT6ymzG9YSlCQKVpEL95gAk/4PpSPwtBOj9yLPC/NKo2QOUn1T2gKYq/nsA2QJktlz9uT6U+MlTOv4v9Tb8HTPs/ZCYfPwNawr9FjjRA3zDev/UvKT9LLBPAK7eNv8Dwej/8f0LA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4cf8d919ce19b1465c0033fcb472a940
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LjD/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uDxGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vQD7vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oNwmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OPj+v2dE6b0IWp2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "HDsyP50BlT08U5c9MI8Pv6XGJL6+Uxi/w03Lv7VCkb1JJpE+KZnvPnMmrT4Nz7c/qLOGv6jXfT4hStI/V8Q6wGy5o774zzE9fof1PyqRCz117Be/kb4nv2zU476drfu/7oWjv19AB79NbBhAUXFKv83oL7+PFEnAoqRmv+unZ7+kpoXA4OmkP/2kFj9lyxFAKOviP3EoTL7UdtO/FMFLwEzltb6Ra26/3/JkwLWeQT6QDR0/T0dCQNtmej4Wz+S8vxW2v8kamT+IFANApeZxQEUiJD5VGji/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9f8255fe0117fb09d264136f9da58f0e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Yjriww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aXRHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vodLvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "epIUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HQO2P3HJlb8PKN8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "go50P8FhJz7WUcO9ZRsQPoZAUT+p71i/vmygvwOcHT/3Gjq/vjALPzXHOr8W42A/QdfZvwEDqr7EjJE+ZloGwLZBnz/oD7u/Qs1Ov12Efr8EBYY/awExwEK59r7mNNQ+/6MaQK3VpT6OPFe+o3GbP9+zrr9iGqQ/enDKv1p27j87qAXAj4yKv3Sl/r/eC/4/YGNBQIIMb76dUAA/RS0fv1Of7L8qIDhArsg/QBcDjT+ql4+/PB8ZQBhR1D/TC+q/0V6CQKdvmT+G4Ja/w8cEwLvbB8Ba+QdA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5781ae4c9fd46da6cb650e79c2ea4c87
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4tQJxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Su11vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bCWUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lNorvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7FGYv+58Jz9/amy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "99Z3P6QUgb2kxwQ/edQavnLYYz4Iiu2+V6GVv/CdhT/Qnq0+tdzYPms9aT7V4/c/LvRNv5WMST+WVd0/R9SKv+AYB0CgMMk9CP4EQPoS5750Dog+hR0vv8WUi78SkI6/3kN5P99Ezzt1Yj9AeIEMwJQCPD/8JgE+6s6aPv0iKj/hoPK/8D2svzwNkT9BcCBA/pBDv46nBMCt2Sm/XFiIvgQQJb9thhzAwiiyPxXQNT/Ccfq/aNYUvi06yj8PchLA9f7Tvx7wM7+EAwXAvDIuPUYum78+GFTA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fb71be9390fa1714153ed67152e54b27
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O6/2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Nxllvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5xycvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xAoXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eH8Evw9/jT6jBpO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "hpJZP4zwXD77+o++4iIjvx0giz4ZEQi+Fm2yv5FWB7+c2ye/XHGbv5czsj/8IEQ/gqukP0aOlT/Oh2E8YHO2P2K/vL7mm86/7Cv/vpoSD0A5VaM/iBIxP6qOJ78GzxfAXaIDQKd/wr92S1G/EjAKQCEBnj5lhAPAjZrBP7j6fL/dL/E+CHYjwJJwpj8E6Wc/43D2P/cTcL8LVbw/SdpCwIadDz/ph9s+uruIP///EMDq11u9ou4DPk1gDsBRJOW+K2xAQJji/79kuYK/izJDwBoL/T8h+ro/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7424a21da3ca7eea3b504e6cbdc44560
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Q58ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bNB3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "W33VvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vhENvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UHCxPra+SL36YXQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "LcWtPkwLWjy7XdO+Ia5gv5ugTL+540+/mUvav/jG9b7WbtC/9FKDvw/mCcBJAdm97xSKPoKfBj8Z6oc/wyicP/ZVJL/c7f6+d5B3vqhpJMDRWzY/hbD2v/feLcCXNNq+3FvxPs3ekj+w4p2/ahIovwJ1UD6wj8c/MzNnP/d5DUBd2dG+3mJVPnUa/D8ceVo/lL8jP2P5HUCl/M8/US+8P7i9sD2nB+Q/q5LCP3ERbr9cW98/djIAQPJ/DECOWJ++x34WP9avSUBsX16/uhOwP9KKoj6AIDFA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: be2d809ce9238d518f6d13202e88a8b5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TqUExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uft8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "r16lvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ykwqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9+ngvwYNPT8lehk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "/VDQPvLYXr4zWvg8F5Bqv10sojw3iDQ/92QRP7J+pr9dKGS9sF7nv8rFLj+5/lw+maSKv3ZLJL90pQVAIM2aP3pb8j3CZTM/4CvhPv9g5D73QZ+/7x3GvkuxdT+2M8G/ehpCvrYSp7/6GCVA/SbGP8kJzz40kgLASpwSwPfCyL7B1yhA0v88wESAND6ipwhAECghwFDbRL9cvWJAzCQjQItXWL6Rudu/JTq5P9BlmT8cMlXAZqTVPlBXqD/maGvAc7HvP2NxDEAKOEvAymwCQNBjMj94IIPA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 495f8b326aa5686256ccef9051207f3f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jMb0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "u0hhvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Iy2VvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KrIWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "r5n8vdZu6z7rbga/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "JwKNPyAX6b6OAKk9UIbkPm84BL7/E32/EqJnv+trsT6Fb2+/zFPDv+O86z6f1VM+ybaSP+OQkb4qthTAbcldv6lt+j2d2KY/WBbuPqFstr7Ciqg/+FcOQKHpHb79ywrA5IR+P+Dbp79gKyvAO2fJv/gOgj7ZbiRAKqd6P+AVJ7+3xxxAGimDv1imbT9cwk5AOqTQv37KN79aJERAdYq5vzQsID9Cy+m/gFD3P5kuer+mARNAyO0gP1g1Dj+Pr1XA5T4kwAkyJD+AWRZAK8JiP18/uz9tRknA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1d5f8f2624febb9cb8b084d44197c9fc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cAfmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8pdmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nieevQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "I4QXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LGXZv6SIDL9Vapo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "EhikPwXxDb4uS6O9LU3GPlQiMj+EAIe/HFyBv317+T6YwRm/RMZJP/Zspj/DFwHAfM6Iv70YNb+pprI+meOxPtv3G7/AioE/zq4qvnAJKT9M0uQ/ymuyvxRCKD+1T2I/vdT0PiutxT9/tOU/pTsXwDh0iz+Qdo0/o03Zvgx7zD47MjRAnZ3xv+zv+L9LIxI+YLE4P7c2uL/trs0/xGwdQNjurL50yle+isizv6QtKMA9SBC/14Pov+oKJz8uDKe/C/g3wKe/2L+RQoO+pR8CwFj5HsDczIo/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6a440e0908401604b30131d82ccebe04
username: gastegger
key_value_pairs: {}
data:
  {"energy": "waf2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Tu5nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QwGbvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rG0avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yF6/PuxRWL4tPjU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "h3E5P7UqdT3d4Yq+q0Ajv0Kf0T7Z5FK/L6bGv/yXQ78gGOO+CyRKv4EU3L9PD74+SpZ1v1jVsT+cNbm/odsZP3Z7mL9EpgI/j4itvl+mm79OmdY/FvljvzqKkjyaoxZAzDwxvvaTAsChjhdAozzuP8oPIT/BEeC+4bDnP+cr3z8Njp+/7WXwv/uEob8iiq6/PBB3v63xYj9xO9k/XBR1voCLlz6I/0tAmtkuQEiNAUAZAKO/jtwcwFV7z76kYoU9AU/xv1zOOr7r9DBATuy0PzdG9L9R6Ok+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 58e9492bd4f4269d669773655467a2bc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KZX4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tI91vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "IoizvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "o8sbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HCXvPU4LFj/f+Ho+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "iHtPPqYi8j3DDlO7Y62Uv1+IDL845/A96cD3PvUamz+9ldk+dai9v+XGUL/QDma/K2OAv+SWwr9YAhs/KwCjPxT7N79Yqj2/WHeBP2hU6L924pW/aTAoQER0Tr1A9ly/oT8eQBIFaz/f3q6/tT8KwA7Jez7axU4/4mU/wIZGaD82yq8/6qc9QEjuSz5BhCA+bpJ/wPyw2j8TxQNAYqxjwDGBKED63hxACl1gQGHuZr8ZHsa/KuSZwOA3/j+jHrE/tL+NwDbSlD9EszlAiKiLQM/s8b7vrsy/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 666d748a732a6c3ba0b2e1c649bea9e9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7yXHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UOFIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "s0WSvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7Xz/vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RyAevn3LfD8AHfY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "l3VtPyD+bL2uMqS8yZ7ovk24DT8HV20+KNK0v2m+e75HC/a9kCpAvxsQtL+P9x2/HZUZPyBlr7/MBBa/rRjNP3bpGMDXlIG/oCMRQCtw/7+48+S/2VYhv61m5D8h1T0/GfMFQFWZ1T5xVkE+XOWuvzJKDsDgunm/m54PQBxrLMDncja+mP2NP/QEUsCUBLS/zOw0PtA4EkBYZ4k/R6v5v1yCFEB3r4E/JdgDQNEcrj+/+hU/JcAkwJ7eDkBXkvY95JccwMba4j+jM+k/mBTuv//AV0BcT6U/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8ad174390c6a5d6e75829c57f9868876
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2rP2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UPttvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8S+ivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WOMcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kNrEvQQ53L8OFbO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "oQBuP6muxj663qe+q3FdvjsuyL5C0sC+G1+rv3zbrj7y6vm9qzlwv8cg3D+n77g9v4oYPyOU2z9z86q9w4XsP9mJrD11Txu/ptHIv6R9LkDD0LE+O/+0P/eAK0DBjQ69P3jCvUmO7b8FQh+/YLcYP8YJA8BWqbm/zEKJv4Q/EMCapmi/DDUWwKV7Ir2vy629/dHYPhA1J8AJQB8/o+6xP7//DMAms20/63thP4wcYkDkdSI+b8eLvt6IHcCBpbo/ScQkP1HPfsCul7U+8VlVvulxjcBlLoc+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 387ba63f7dffb76afc636c64ea6448b6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "M58ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5+R1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kBK7vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "n1sYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Skauv7N7ij+z0jQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Ihs2P5TWML43eu8+627SviKYt77bnge/FVvKv57Pfz6mLGa+bylvvuOrhL/DccS/0qzLv29EVT/G/Rg/BgAvwGLfTT6AGI6/87oswMC4Qr+6HtC/9JNowC4cZz5G5Pm+bZowwDQwqz/ouAjATfjwv2yyoz9cVTLAnK/uPvNQHT8OWro/dhi+P5E8ST/0/xVAIVaOP1IOsz/SWz9AgcAwwIJCFECN/dK/x139P7OAa7+BUTY+DFr1P1/twb+zrz+/V/w9QFi0Y78s+F4/OeJpwMrgoT/TtzDA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a3179c3f1d75ef3367b08518914e5942
username: gastegger
key_value_pairs: {}
data:
  {"energy": "s7f2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qKqAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Cp+tvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "y4Uqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AFIbu5DaRL2ad6y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "jzKsPgnWDr6uw7q9aaCLv1KEyT7sqJO9rB1CP05GyL1R2J4/UZfmv3JCAz/t04S/noklvggLxD5/AwpADSGJP47yDb+aJYS/Ji+2v7nQOz+pwa8/hD7Wv9NX5T85gb4/nfERwCXVIT7c2t0/HoviPBv3+z7R9VVAuvYWP5FUFL8KWRrAClLXP36hyr5ExMI/5NqSPsWT2j6cfy7AwAuhvlsXmb/8KR/AffbWPyA2j7/kPlXA67IkQE6Q+74NDFLA/H37PzCJCMB6n0LA+FqqPw4kkr8zy4vA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aab3fa8f92ddd362cf22286d0d577c13
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Xf7lww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+KRzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pkh+vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zhI0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/+yXvtqPPL9Ke8O+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "uDh1Pnpdsjy/If291VKCv92lIT9CkKc+XdNsP1vLsL/f4aq+xD4GwOoolr6CN0Y/u1gNP+XrF8Bnfr69AhcEQFnyeL9BlfY+Xt+dP+Li+T6wBpu/CQbWP3r2vT6T92k+/CeYP/pHtz/VX96/wm8DQJM7lj+vCFg/breSv5Vl7D+YL6s+JImqP1vfb79EOOG/V48MP/MAkr+sgR/AeWETQDi9pb/fZAfAk7vxv7Tkrb8eoj8/jqxRwGdzLj7vOJg/rG1dwGCvnj8ibZo/SE+CwBIF+r6JI8I/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3437526bcecdfc1f03b304fee740a68c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/yTHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "j41Qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "51AGvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Vfkuvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/+yPv3kenD1PXfm9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "/Y2rP0ocHT3Cvv68l7/gPkjgNr55KZU/eltiv0aSQL/7TzM/w8GTP2bimj/bsUi/sbkQQOPdTb8fzpK+JeOOPogyRD9W+dg/l4uCPPmi1z8l3Iu/IHSxv2xjlj9VzGC/RyEOPR0FKUAQT9C/CSwxQFKyAL/uxY+/ZnzSv5ZEHb6qY2q+19JuPyrCXb+BK+0/Cgn1v0wD/z8yTLS+0+rsv8C3lz9f/e+/HLskwI/BIr+qpAW/pjmgv5hI97/BX6w/Lx31vpcAI8D868c/73sAwET5G8A9c2c/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4447921e02dcbcc166688de670fb216a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zZUFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "t0GFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "beXlvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uJAXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kKB4PgltEb+mD929", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "xToQP4p2Pb2hjUC+i5DMvqJC6b1s3bC/lVCov2lJLT/uo7m/y2Rsvqyvuj2He4w/qXeSP1Y7eb8e7PW9rXSjvwwsfr9A6bE/zhuPvTKZdz92l/U/AZvDP0wVkz+qvbq+jAS3v4pd+r/W/S4/ENfsv++cUL/6kBRAMQVuP6VYBECan9W+LJ33vVizk7/zChzAyhQEQDSzhT/zDqi/4QqSvsJFCcCLIwDARbRsP7Aijr8VszDA7zYgQIlVmj87OSY/vM1Ivwtogb95nFLAKt0CQI2Vuz8Xjbo/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f52f0adbb86edef8f9f0d98990d04876
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9672ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OKSBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hSi/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LrQjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xY+xvkJgBT9m2oK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "CsPMPdZRUD0tgPS8kf9Qv+ZDLT+B0F+/nXAHPQrSaT7hi6w/15UMwN+dhz/377y+lXFKv4cAYT9ohNQ/LKpPP9mJiL4JaAhARCowwAd9Ij9xxhs/XTCZP3/YLb/EKCm/77kSv1ufUz8IzQfAeH6uv/S4oj8bwiXA+gEtwI2N3z9zWIq/5NaHPySTJr/Mjt2/S+XmP0lU978Ctbm9fZ4nQNnMKL+h5DK+6Yk1QN4OML4j2EM/0uxYQLRQEb8YnG6/bMzAP4+AD8BDiGY/6c3/P84qL8CXd0q/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a7941c127f4aefe006c6c86190be7d3c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wsv0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PpNNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "003ivA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hEkxvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HEKpv2xDyT+QiBk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "dcpnP7p5gD4cjbi9lcGqvSsemD9RQmI+0nSuv1w2TT+0LOM9wYk0P2cch7/zj/2+bsHWvzB1+r42tJi+C31AvybzvL/epRy/lPiAv4vrKsCNinu/A/IAwLTXNcA6xoO/0lgMwPKHuj8SZag+VqIpwGRBPr/3k8C+z3q4PpIUI0B43S8/J9vQPz3M5b+kfz2/WJDwP4jrAz9tDgG99fGEP859P0A1jVe9WCEFvySPTEAnxzk/TWaEP5aoJkBaqf4/krL3P1fDCEAoMfo/y7L3PhcCB0B+4CtA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 36d4d07bb8dfa9b323fa72731b178ae4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6GnTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SMBovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zjiNvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4SMivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wcVaPzvCqb44FUE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "R2WKPxshxj4Rgh4+cVr2PZ+mpz/zdjC/AnPvvs3Mhj0eh6e/dtCaPoApZr/i4a2+RkqbvDL3kT/BjEk/Yj+Sv4xiHL4tlBHAyyckQKDjBD/iRpo+NEU2QKIhyD8lmug+XQ87QOigV72T/JQ/DwG9PrC1D0Byo5a/g5xFQHQqFj4fDha/1rUXvyfi2L/cDyQ/wS5tP2S4y79TW2q/OvuXv6J4SL8V/98/oFlfv/TT6j6yZMA/9T3Vv27Lm78nhidAELUhvcOWIMADXJA/czuyvwW+CsCRZXM9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a703dabc5178e774af207c3e8c513053
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/rj2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "b0tEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZYnOvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Qnoqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eHrxv0rvyz7aIIM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "rRyhPzKYOb5+fse93mMPP8tbUL8iR5G/AUNIv5yWPr9i6aC/NebEv5nooL0+Ore+6/Wjv9kuvL+Jmx3Aw0J/v4iyIcDOxxrAFidovwxlEj/pe0A/Fn9Vv4/vhr8Ww1fAlvzsPnmCCj/gf1o/q6vTv0HHoT8VQ9c/J0EnwKETI72TpPW+V/WPP1EklD9vAPk/7HcXwPH9sr8ecCLAdoGXv98KsT9piCRANMknwKpQfj+iNeI/17EdQCofn74cpI+9KdsGQPSUZj8gNfU/OreIP+H3CkA1F/M/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 21d15da196bc2c5612f73dfa998c78b1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JaAExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YvR8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LH+evQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zLQtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0saRvZ9Z0r1eS4S/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "dVxNP7m3sbnE/EO9hhqtvsMtdz97ttq+/8uxvxwt1z6bqZe/VqfrPtOKs78ePeI+kUT5P+NYxz772Xa9aaOEv6MGrD0DMyHAL0qYvhLyOb/iTSPA74oZPiGq5j+1bHO/1/g4v4P87r9S8xs/ZyzKP+ykCMBlcjQ/16YcQML90L+RRUw/Q+a6Pxh6P8DwF5w/xD0iv9/jdD/MNkPAkKH5v5nOfr5yt0DAAiV5vwsJxD//XFo/+lkFwLywvz9w6VI/9yC2v+Vlm78g9Ig+DMGxvoxI/D+obuM/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bb7703c61eb26bd60fdc30dc486c06db
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Lsr0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "em0mvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/YYJvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uwsEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GeK4P/GA0r5l34U+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Xq0uP+6yi73PYCs+RRDrvTeVfr8EVlA/kdxSPYvVVT9ldCK/sXOrv/B9ZD/NXFa/H2QCQKprnbyJJKY+wZACwKsFDL6KUsu9hzq4v5C3gb9jYCs//NQAP8Oz9b+BANA/TrtHwBdGQL6qw0K+l3fjv3JX6D+BDNC/EMsaQNTCTr9YOVI/V5oywPvt4D/GVtm/Xtc6QAJ2QD8Edwa/RpMvQNnw6T+rmdG+bopJvp+YH8BMivo/voY0QFP//T6WfMu/NM0TP7tnxD+TyJG/8bp8QNHfDj+jZWW+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 12a7282737351aaa85aae4ad6acd342c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "F7LZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rWluvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fbONvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7o8nvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "G2TePwGk9j68s1a+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "m86uPkFqSz7uEbg+2xZNv3TqIr6k9YM/JwzyvyXI9L6P0uM+iX8kwGE3Pr+so5Q/kyGvPi1e0D4pLoe/cQmGP5emLj/vCWU/owIjvzgONL7YQSJA+I+9PuF82j2q0zpA2LXDv/+u874PQlJAlPGnvvEUlz/xFra/MzQKP37mRr+V2vu/1C7SP8jzcT541+W/GcoeQDQnv72Dq5a/AwkqPwDD379fvcC/CJXyP+kOkT8oETnAVpkYQJq3+z+8JiXA1Gwou54IRL8V6DnAc5seQOgtMD989WXA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 405186b08ee50230f586beeb260a9e70
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jCXHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RkEwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HHmgvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IjIcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+aCrv/8+wz7jNpq9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "j1LIP3a+VT3Lkhs9oyJoP3T6OD8QU2+/RYGBPxd1f7/9c0g/UydIvudOhb8CxZM/JxeYv7Dn/7xfung/0rVBQFIFiD57VKI+7IYLv22K9r/eZdg/ddZLQGbNEj/mwa0/Ghy8v/wqjT7OZ8q+tLxcQDSEhD+4Taq+oH1lQKdoKr+O2zQ+6XICwAkknL5Dfrk/zov/vsSlIT9IeqG/gDo0wIgo4T10Wjy/cQFOv8KuaD/G/xDABaO/P0d5sT+t6se/8ERBwBIlzj41Ute/FDZdwHnaED/wEcC9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e6b40bf4404161b10b2ce1bbafdcecbe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xIvRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "495svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eouHvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Jhkpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cRsNPq7wLj7a/vW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "JqrlPgPfEr5WBia+lPVgv20PCr8sdMk+KmDXv/mRKz+mH+g+zt85v30z278/ioU/zgDNPrL/tj9fUMk8C9ceP6m9CsDgy3o/0z6Cv2Sd4D+3HIM+AJW4v8R3EcAff9A/8tROPxNv0z+4Wbm/F2kZPw1cED4Dmtu/CNEvwIMjNT8xkis/XIEtPocZFkBQjv+/ZYWcvtwP271OVRHA0iymP3+2n787nLw+RQWCP1i48T+NB00/47nsP4ES+z9Ecse/QJu4P2IOwb6uHgvA4LIWQJ/csL+FTRw+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 46caf91e414c35becdc31e2a4f136a29
username: gastegger
key_value_pairs: {}
data:
  {"energy": "bhnkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Y7Qevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1eyBvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yHYOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MZQjv3/ekD/5LL++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "lYkkP7qRKjwoncS+55wmv28VCb/S5Em9OI/MvwfmBz/Pn16+giMOP7//uj9gAGm+pzRtv3im2T8Yk7q+3Ag6vyOv679uGYw+k1sIP2NMI8Dlm9k+byLVPwtR7L+w5Aw/av8QP3tzaMDtDPc+SEfWP/+4776h9gU/ooS0v4h2PkB1dwO/JWNqPyNb4T+KPkU/RmnWvwSXFMByVPI+NHYpQD8kEMD3rEE/oJpJv/+laUAoKW6/n0oXwJpzREAQ51O/MvgqwNbAzD5QhGy+2i2UP2lC/j8Pl3q/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 15a64816fb0a104e4d319d70d8debc01
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JwrJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "t5lKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uoeEvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wAg6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BOJ1vRqoLD/I6qa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Yhq4P0KU8D5mbYw9Jks+P2zK/L5eaIQ/s3IYPzVJ4D8L+02+LWUwv5k4Ub/whjQ/HsvRP4TxC73EPWK/cn+dv7aI574JUBu/lvKiP2I/W79B8gNAznUZQBfjPD9wYgQ/eNh/v/FK6z6KUsa/X6evvlu50z9bW6i/1D2ov1rUmD5o6iTA42eVvy7d8L9/XaW+Uh3ZvtE8H8C7DVa/ymOwvcXMCkCc+wjAmE0DwHPvG8DAQZe8C3B0PXCAAUAOpDc/9Cqqv3W5RL+9zMo/YliiP851JUCIINa+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 343d3b797511c6d5a5aaf38761332377
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sZzbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dCZNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "N4nBvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TfU0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xT1Gvxdldj72RQI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ZR25P+W68Txau1c+8ytEP1H4nj8MAt6+OP03P3mSpr+fTwU9t+AdQDU/8D2Fo1o/rloovihiob+umIi/E3bWPgqefj+WGri/o0S2voXs2D+xUMA+1lHGv+0Mnb9RskK/oWDtv1TgDMB3va++NagCwOl/IL4hPDQ+rS/Dv1Byfz+B3yE/Ev1LPrckxb/slXg/fX28PzzxBMDDDQ6+uQxCwC7Xwr73LhA/7LMCwHGMkr8rY96/vesIwOyGxT85Faw/PG6/P5BRA0A+Pfm+B9utvbe8E0AeW5A/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 88479ecf791f29ae096fcd32210c5cd5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ryPHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "riobvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "miQWvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZMgRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BkfpPnZshD1dipu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "vu2+P9EIbz0aLKc+LxsuP8v3xD6saTG/AUlLvwyZ2z6ROxe/hn/Cv4NJub6fX3E+5oGzv5AwoD9AHca/5o5dvxapBED6+eS/0IqBv9dPrb/VwJU/ER0fPtMTpL+uPOk/a3WYP3ixSD94GPq/r8MXwG1Wuz+u/q2/oCeGP3bYRL4d29M/1RMkQGL+mLx3cRg+gkUMQP0QJz9IugHAGaMmwDyikr6HdyY+Dj/oP92SXL4JzBNASfo5P6X3pT6JqC7AEszSvxGNDcB7za8/fFbsPosUBMBe3iBA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b5c4169a7df5dde72427bcf38bd0f12e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ux/Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ptEkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JjafPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "a7g4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qoLhPsL6j76cM+K+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "YauLP7uCdLySdZ++8XinProOTL/mXPM+pDRpv8dhIL2kK2E/yh8mP2etqT+HwNC+wuMhPzcsBcBnoIA/nbkxv+MMsD9ceVs+SX/yv+DLgz/XJSa//eEpP/No1T+vrq6/uPIGwAvvHr51bIC9pUlLv4taEEDaEVs/B94XwLbLxz86jru/3rsPQBRAp7669IO/EzwiQOX8pL+8aGu/eJnQP6PgEMCRoII/TVY1wAZ/cr+ylWW+u9A9Pnr2NcBJ4wA/OQqPv/7Pmb1kJ/o/JS9BQCWtmj6hAle/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8b71f8ea590aab7de10bf6e9669394e6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HZf4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CAN/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZKzWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1qwTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7wPQvgT/BcDPa6y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "r8h8P++mqrsQQ8G+LDEkvj8Oer9FNLi+Kd9gP485mT9dILe+BVMZQAVfKL/is8u+id/Kv3C0ur5JGki+Bzfrv6Zkiz9FTQe/TGPLv7+DsT8d18i/gxgaQOKN4r8rqdm+oJ3LvxY9R7/vnaU/I/MSwOJocr/Daku/9dlZQHgNBbyOnMu+EeEVwMF27j+Nkns+c3esvppa1L+4L4Y/2Ymyvw5+pj0Z7/c/vSD7PpwVxb+5ROA/XQYPv51HLsB7SXQ/ArUewDNnpb93dNQ/BWj1vHcP2L8CVZe/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b6fcae14721d69783f32fab00f411ef9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hZfRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IeVHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XoHovA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9dQqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "v329vmFxGL9rfZE9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "nlUeP957L75yvfy9nM4av2Om/T7UNPk9hdfNPl/Pw79SXa+9Js1vv5yH37+CTDc+s5rIvwdR9r6+Gp4+Mz4Mv2k39D94E+09pVTMv3FwRcAoGJw+DRonwC7cmb78HgQ/5ubhP4pGCz+zAbK+ZOaaP6BnDsCRUH6+g3hhv450ecD0miM+HwYmP2R6IUCMmfO9vG/oP/cj6z8mo7S+OYO5v8vAHkD14Zc+nUUqQEDoNb2w/Aa/PHo7P9eoZkBisAa+mFIDwHiYTcAbcKU/okYZwCsrTcC9gt6+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 938baca8e7fb7018f30ca12d02c8692d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "U7Hdww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eQM8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AdtBvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yeUvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "a7d9P9OfDT+L/QW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "tw+CP2Ar+D0zq549S8OlPndpbb8gkB8/qIqCv056gr9sWRI/IHyJP+i+578ibKQ/8o+jPmx8UD8AlH+/5a8dQGWhFT7reUU9truUv0vlaz9Noym/bObhv7iY7TztjfY8s7PFv/ZF679zZoU/HLT0v6efBUC/f52/2ZPDv3tbQkDK41W/hhjmv4CnCECvmhTAvrfmPnuElj5gXPy/2ik+wC1OAEDC5ny/JYc3QAZLsb6id24/lylEP+Fh5z+Hw46/b14zQDTalz8RIic9tKI3QC9Ps76r71i/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f4b420bde6f72271d1a24558af755250
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GXu2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mBRfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HccPvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0SI7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Sdf8PkSjq77jNjq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "bS9sP1WXlD48HsK9FVTgvUqBrT87ZvE9mfT8PspiCr8ie5+/0Bkqv2Gnnr9LFJy/oKrNP+otpb7IMo4/nqsXQEpvFD+QIDE+wnwoQIZYyT9Q5wU/na9GQJQFBT5xGfm+WQKsP/T5fj34wAVAJXDQv7cHl79OjyG+CF/nP/ePsb/7FYo/603rv9Xo6r1OgSs/ouBjvzvg8r+diQPA55KPPxKXD7+yhwjAYS6mv7TokT/jAwo/qQUVwNlxAMCZ3Je9cwMpwLLHMr5HSbM/V5AgPtKTGEBFlAq+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8ec46d579eaf5dc3119f70b4dc79f799
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DrX2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "w/Bxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "H9uSvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NIMovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yAwSwCYBur7Q1Q4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "e9FMP7mrqT1MMAM+A+5TvqSvmj/MoZw+4ZCBvRx1lL/acE8+06q7v4wjOr+B+gI/KE3Cv887Ij9SVRA/aQIbPqq8G0A8DzU+kJQjv3GQRECd4JI+4hUZwIMS2L9HZyw/cKcZwGwpnj8wsD4/NobBPzf/oT3TYHY/oqzOP8ZUYz5fJpa/F3cGwJ3SKMAnzf4+OQ2EPnU8FMB6OQ89yfNqP2QShj5VwAHA+2YPQJ9oKr/ovqa/oy4dQBtLrD/rcpC/wrZXwL+wvr9mI0c/0vPzP8mRBUD6GlK/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 63b85c0b2c0472c586a08e2e878960d2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Xaj2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "igOAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "djTOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2ewYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ONtcOwWLYz4lzJQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "4fGEPzdSbr6CSjq+RgSzPXanrr9zY6m+h6Zqv04qr7+Fd4G/z0fNPtluKMAjUvQ+PxuuP/U6MMDj/5g/b2i2vqpzW8CjXaY+zT0OP+0RmT/UUZG9ylWRP4rrNj8CCai/fej3P5Pc9b6Lr78+ImAGQCy6gj+ryLS/hjljv9gtyT+IwLS9YyW9v+ighj+g0VW/fy3Kv+QGAUCY4JI/+OKEv//cA0ABrQVAjUaTvxM7QEC3pBU+/Wf4v8m7U0ApytS+z7UowIZz5D89n58/g/mUP1+b6j/ozRE/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a7a1601be14154b8b6503d255f972d91
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sqEExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+69zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZFmwvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SYMbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "q+dEvs9rjL9MGkM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "YY8oPyc+lT7BsjC+nr30vixvdj8rPBA/8O7ePz2b/z2E0a0+OVLcPixiA74bftG/UjSpvzdg3z9d8qQ8m0eTP8rsmr/Bpfm/DkYJvwL1KT9y5QJAW9yFPkzwmT+lTyRArGOOvnNy7T7BphrAIfbLvnAGWL9nKxRAWIGUv2eq5z+H1Hy/InR7P7Tzsr8mwTjASOu+v7vlhj9B9RlAcdmHv0Cyy7+Tkp4/npwoPyp9j78HEBNAEwlHv9Q1ib81m1RAwA0EwKMutr+LOp8/JyVtv/DGJcDQDa0/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aa2935ebcaf15ec12367681cc3312b39
username: gastegger
key_value_pairs: {}
data:
  {"energy": "winHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HAtavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KEkXvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0jg0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+dpzPk9YYj0W+0s8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ATHdPspDmD4q2zQ+61gLvxzxJ79jLg4/Ihjmv54c9L7DpRa+7jv5v0uMAj8T/4e/HM4kPtzjnz92uEC/t0VhvvwPxL8cUbg/4UV1v7NstD/KsrG//qs4wHecIz+LBsy/ww/hP4VgcD62G04/WoKBv+QpCcDNS9A/jbfMP/1OpDzode4/wtEmwFaSlL/b1aU9fS0NQMIinT8BOTY/ZA4qQP8JVb9dSjo+FnYNQNne6L/u+Zw+zSo0QFN7JL80QmK/djR8Pyjf9j/WLXW/WnRoQBcRVL8HZy0/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 196ac1519b14c9e9928dc5315208b54c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YSDHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tOZXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lC49vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "D5sovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sYqXPpKzML6ERxu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "gkVWP275QL6bgCM+JH0Ivhcs8T5HgI0/+4nAv8efGjyzmVw/gHa+vAecyD9oTYI/f334v1ZXZb0Kgv2+VWMKwJpfBz829bY/fP9yv7kY576lc8O/HqTgPg/vG7+f94a/1ZkOQBWsrb6RSRM/ZIfKv4s6aT/GJ8a/nm1pv4S+yz+O85i/7UsYPnukaT7afAhANt6fv2eaib/YOxfAXoqTPy7Ii78Oytu/HGE4QNk8UL+Pni6+6tUoQCDEbj2s8ts/sJVoQGDHB74Atuo/jGQ9wML82b7zdRS/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b7dfe84935120071e129929253e44db4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Xa/2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eHp1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "heycvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NgQnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KbMBv//PGT9+44c/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "mKpZPnL4iztTFGS93IyPv+BBt74cPiu//EAHPjcjFT+5dKM/zyChPyM1fL6tFEC/6GkYwKNNlz1WRK892V4QwIwg2j6w5rs/CdGEv1RCOj8r/vY/aLugvzmVar9/aN2/d2cywDgWcj+bnuO+J9skQOPLjT0Df1e+I0GEP2jtYD92++U/RQwpQOFJkj9DTJE8AtVqQH6bib4HsYy/TZ8uQIyu7r5h4zw/q7JHwAATOr91m788vuiLv3jYjT+qcTxA5KBnQBMkob8Jbqm/22tiQESdWj7m/v2/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: caffb9e818dbe3c0bf890fd3de47896e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9cLXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NKE5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4+IovA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BhMvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "O+SWvhjspj+giRA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ZuEsP2+KwL4vvLk+5jGkPAAGYT9lZYI+K7OWv4ooWT+hba6+yQwVPyGC4z+favM+CNULP3a3l784X0m/YaAOv3sEnb8Tbqq/kKoCQCJ7vr7CH2E/9VjOv/KH6L7W9zK/xgf5v3fo9T/J2k+/GfDDv0paNEBkpBe/sWM5wFUL9D/O6+m+7vwWwMKu175CLLG/WeUeQN3dqb9MBhc/yu0oQJk91z5RuM0+gtUDQOkeVL7LYBlACgTOP/TJPT8W8SxAJoHAP8nzgb+wNThAHL9FQMzDZL6/6zBA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7497fe26f1a21f2b4d39ed613aa90851
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/8H0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ueJyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZXG/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BioTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+vLSPlLy6rvVBME+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "fTcVPxZLvT5FghI99SpWvUEWML/hL8w+GCe6v960K7+LV48+NjKAPAAzxj/yyfS+PjgFQOOlxz6YASM+ehUfQL9fFj9LOle/IVqhvyOcxz+R7xO/EjIHwOgs3z6bx0W+QRBYwNNH/D5v0Ji+ESF0wO2DwL7MtFo8TWziv/UbHEAMqXe/q3cVQEkPoj8JxkQ/KHguQNp4Xr/o3Dw/EisnQHJt/79bsUO+x0YTQOAwiL8XHd4/7ZZyQDRuKL9sl2E/Fp7TPxIkFcCfkEG+ceBLQBgaMcA2tQg+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a973fd070ff409e5b31cbcf9da54b525
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fLD2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "c4OBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9YWwvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7MMqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OjtJP6WDXb/3Hi6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ix1nP2qFmj5wbdK99GSqvsC7eT9ifeU+kmR0P8tgkL/XYUG+oSTovtVfC0DiasY+mrj4P1xicT+0IgG/bnw3QGHHu72j7m6/K38HQEbKrr+A9i6/HD2zv61Jmz0xqYQ/fDseQLLPF8DpgmG/yb1zQN8e9Ly8Kr6+V6ZIQAXfPD01p/6/9rJzv6l3RL9ilMg/htIUwK72974ve4O9XU/fv9Syjb/Uvz+/qCcwwJaxsj7nBCS/Nln+vyq2Lj9tud0/ZVtVwLdYqb9sAu4+yzd7wObdSL9wFYA/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bd4fbba94b2e9fee5df94bbd8359397c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IyfHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "D9FYvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wysJvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HoY2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cxEvP5+TJj+kpZo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "NM9zP7sHLz0HLvY9eI1cPmmVGb9K8Eq/OGqOvwe4+L4MtEe/HSDdv9zOfj4mRBA+/f5/v0Rlbz+TG5E/8Pu6PjifVj9Ui5A/4cN6P1TgrD+rde4/96dOwCOZnT4/OZE9SuJkwElnmL5YWES/nycUQFrlor3XmZc8oRLCvz2Xwz8r2vA/vQc2QOctLj6bO1Y/8i07QGTtg79csGS/tgdswDg4kb0sn30/YUplwJboqj9+Nou9G8UmQNz5Ur9/UPW/uqkpQFVrBMDy0Sq/UEyAQMBbbL/cnlS/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 70d603ae358b219bfb3a5b2e79484a03
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ssb0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WvBivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "L6aZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Qh0Wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kGYcP2tIPL4qOhK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "/RCDP3q/vD5wlyG+/zZ7Pn2hOr4qY4a/qUkAP8bJLj8iYJI/7E86v4428T7F1r0/MbGVPylWjj83zPE/kGsdQLZVIj93DwW/raUoQJJujj4XdsW/oKQqQLrX2j9XQgC/4nSCvxC10r6q0je/PE1XQGtIjz3kE9g+DjBQQBETY7/9UM8+eO3Kv6onwL3BdAk/yCjvv7+mgr9Sqt2/2c40wI95sr7KbDc/csCgv39yl78NdifAm40twIN1ub5D3Pm/36gRwP4y+789r62/j/tEwI3MkL1r4NQ/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 450b121554bdc18ca31948b59fc937b6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nQHmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pbx2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bCO+vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "76oXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yhVePccpIr+dY2C+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "HrZBP2OgVDtC5I8+TFEMvlOplj8+GtE+fEOqPkhWub+3Wec+E6xGP73Jcb9Ocmq/4VIZv1wHnL+n8Lu/sSHcPywzkL/ZnbW/tYCov1yHnz+v4fw90UoCPxFiHUAEfXc/mTTgPyQ/UT4opCo/nuOFvyf93L+z3L+9lFjUP04XI0AN9Kc/vKL9v1+hwL9J0c0+4FljP3zkBMCl7JE//WRavvxCU0A/hYI/OAF1v0jSKsB26qG/7m+UvwK9Er8AZgjAZcU+vjfTW8DrKKa/MVf0v4ZoPsCtBti/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eda92ba9d647b5208188b3164436fbef
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NJUFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NUZ7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/THtvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Nq0Evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "P8Ycv5VlCL37lgm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "6vqGPt7VDz9cLXe92w80v1FBJz5xdYg/FqDzvyKagT6nQG4/M1XevX0sjL6KIBpA48MFPieXPb4mbbK/ceeEP/ZSHL9a3SFAOopbv+cinb67g05AXL0iv0l2NT+mQRjA7HsMvydJtb8UIZW/AoTDP9fvCb8xtfO/zyy/v3ainr/nj4u/thYJQDcquD6hgv2/fCyBP7psvj/uCxg+fq8AQHaHnr/e6Ju/3V25Px+agb+1oTjApwHRv0GPcT94Cv+/503TvbsO0z85lyLAErQ9v/UeQD62Y1XA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b68d4ae16a6c1c44217198af861c3342
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xrb2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JAmCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pYWrvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dk8uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1eeqP9vEybzTMCQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "xnFtP7EHHb5Ffrs+IIOCvcS7mb8ZfOK9uFPtPtH6jD+57na9jZL8P7V30743lIM/FNaZvyzAxL6uLTW/Y+bNPn0u4L96dHC/239Dv5kFjT9fSDS/BucQwMNaR7/jLI2/khE2QHIjLj+hOrc/Woh3P3kz+z+ijsY91fgTQI0huz9mBv8/CbwCvyyTDMAyp3Y/8pJ6v5fO1r/q9eY/zX6svwapA0DOmpK/zRNVQJL6kz8INhE/WZZoQAUMlT7q5ARA3qmzPlTzL8B9hKs/flyev5cvOcBeggo/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cd151fbad6ecfc59102125c8daa1613c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+pD4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "26Z4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "F/XJvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UKwTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uTbkPzhKPj6GG1A/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Sa1aP+NXtT4bs7++EUIGvqv8Kz8R8b2/L2CWv/yOxT18N9S/RRyKPwi0pD97JCg+/L3BPisIOb+NBBE/8ACivgRulL76M+k/RliZPk5N6D+AGRzACa+kP0jjEUCOvQ3ASp3DvpeQC0B7yFbAka1Av7lGMD8m6v4/auxcv9QitL8zKyFAiKBtPE5z0L+bCbM9+0bnPzEpoj2trFq/okqMP+n9Ur8BI/M/rEsCQNhgqL5NzwZAIobyPnK7+b+dsS1AP7gRP+lAPsC7GxVAe6o9P1p89r87oHFA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2a58979f93928aecf257f13ef59a72b1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AQ7Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/FYrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZVbvug==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "T3gpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CTOdvuQxkz5gAlc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "+OI3P00ktr14Kvw8SWcUv+YPDD//iSE+Xafbv6mBJb55gD4+dqyavpAnAkAe7mo+/dhYP15fuL8rEzC9qgzPv7H01L/JrZA9WTUswDvxmT5nk5s+yyzYP5tDWD8nRu27ktCUP6bmCUDEODc8q0OevmfFBMARIh2/LxnPPyVuMUCjHCw/KVowQBnQMT/r4cS978fXvybPCMAZrYc/+tVYv84RJkD2ZQm/Cg8Wv0WyHED0FZo//cAcwPpoBMDk3gS//ca3voGp6b+4XNe/J+sAvg1cScArbgS/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 69e9266436decce401ebdc8390fa92b7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G50ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Kepsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "J76avQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Fosfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7DQqP6mfN79TrhC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "S4DtPuHABj+qhDi9QrkzvyRUdz9rp0w/lgemvzrpoL58v7A/aa2NvxaZBUABOno/Mm4MP0Aner//qps71lSlPxP3mT8pxj+/XDiJPwLpI0BAXzi/ytzjP/uoOUDyx6O/J3+EvvPFqb+crZc/rcUhv+XYEMA0cYo/7kPFv8/UMb5vCBxABzfYPH9hzr+Wcaa/ar/KP2N6p793QR4+MLAPwIOXAr9b2Fk/8gAwP3DLqr/OegjAQ5R5vx70nb9M1sO/IwTmvTg3QcBiB5a/O2hEPw8wWsAQ4I+/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ef3c6f08d079d22f5858b775f462050d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NDniww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4IZIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3o5wvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KGMMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/itTP/c7xD4gXpe9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "UahcP1YGlb6CE3Q8XF3bvUpZpr+xS/4+uCfDvzJShb8hafk+0KAaP3C4gT/4Isi+1ycnv+LR1D/erwG/RIDgPzhq4T/NWUa/kO0PwEjObT2XTQQ+LYwHwAd28r9XBFA/u6EbQHJV6z/Ia7C8swLCP71ULEBjiou/5pzxv2rfpD+qhaC+ye8IQFseO7/xzs88maYOQLXa278RZn4+kGXcPmbzGsBk614/uuAzQBs+ib5qThG/kqsPv3nqLEB/MFe/KhJVwFeJTr2jGV8+izqQvjqSRcD5PJU/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4694bf9c46bc15c0c061efb2145e286e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Up0ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0o9mvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ukuivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9WkVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BkdZP9XssT60jkq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Pd1vPsEmzLxOVAq+619Qv/DSjL74cWs/slkRwA4OrD3PoR8/LzoLv0W+Wr/anfk/LMYvPk8bcj+9i3y/iHmhP+Bsar8sZP29Wl6oPyQfu79BYzk/Tv4dQM1BO7/dkWq/HiY5wHMWDb+ejUC+D/wtwHK9Wj/DAaQ/Djpzv1X+4T8KZzC/WjwKQNQc775GL/e/sNVaQNCjqz60HLq+p7iXv1FqCEB2Qsa/u1A7QIKZpz9JZKm+fBo+QGvO2b8g7Xi/uShwQLbSoT0bgyU/07aJQOot1z7nQYC/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ace618850442b0e82fa1e2e8a899df7f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Fw/Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZVJzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WFSkvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OSghvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2LvfPpBmmD9SSf2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Yv2SP8VxHr1XeES+bDQaPgjYhL/6xIc+w8NWP9+VlT98NDK/nRP+vuh37D9eqUi/pMGsv6G0Wr9pISQ+enfVPzae4D/geou/aZgEPyVwB8AQNDU/nLAEwO/VOz6l93A+a8kkQLvpBb+PpAG+JVa9v5E5wT8Mha0+WE97v/Pyzj9e/ac/g393vyHWzz9iWuC/PkWpvvGNO0DRuUi/5RgTwDH0DkD4eqQ+ux8tQH9auL9ibTW/fQLtv0qK6b90Z+w9Lyo2QOrGRr+vAmc/o/hQQFfAcT7ssf++", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a4f815934def74b5e9154fa7b33eb93b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SiDkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "g09zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vLC1vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JXcYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OPP7votPYT7hfyO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "d0xjP6jLjL5D3Vo+Nw/wPXiUuD5H8a8/JrD1PqSg0z0S75u/6BSbv7a+cz8Zz5k/YVUrPwj90j4D4CFAamxdv1weAL+NysS/1sfqP/ncfr+FFt8+MPW6P5tZhb70yg7Ac53JP9X1jL03uh5A3CITQEw1mT6DqwbAH4sIwCBhJz8L/IY+jXu+v7tPzz/BwABA77S5PkFvmT9y9Zq//xAAwHSKcr7Y4mC/hbLhP5vXm7+W9APAAGNHwLdvjT+S+cU+6hM7wItrLb+0p5+/Zklev+Uelb8GUxnA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 80c9fc155890cb0952fe50efc28071b7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0inHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hpEuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RgiPOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yAkzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "B7ZCv9AKyL8X2Q6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "INo2P3dxLT4wrY69cfXAvYddgD/WGlU/deu9v1juHT+iuG4/ze/8v2Q34r4iSnc+G7+Wv39glr85mhS/CwUqPid7X7/bwUG/PgwJwEWJlj+kQcs/w6BAwPdIQr9W85o+Lt8CQFB/Dj/LilW+cNpvP2AU3r9G+9q/yHjcP0Hqkr9HXgzAh43Iv2Ja+b8UwIu/LMQCP77I/D8KArk/rM4MvvkxH0B7uAJAliEQQEEXoz8J+fY+1VguQCNFQr6O0lm+98qTPrafCMBS3R/A4Cq1P7u1JcByeJu/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c14a1f342447f2a169422bfee57d9644
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EpMFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CiyAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "i/m5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Tlsjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "z0nvvva0Q70GDT2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "CB51P2eOLr4CQOG8fUnSO4ndIL52IZE/PfccvwbDj78OqcM/w0BIvirclj+liu0/mxQMP4aQB0DJRd4/Bi+Jvxn4lT9GVyJAnqiQPn8+YL1z0be/t5PdP6v+FD8yCPk9tOudv62P8r0zabq/gLi4P2L/w7/dbw6/XbpfP+0xpb994e6/cOB7Px8xGcD7koC9l6IiP67KTT/5HAHAdXXIv+Qahb+58HW/qNMhQLdl1L90hxq/RI7YvwWDhT9tvEW/4kkpwDuCez/U/ii/CsDKv43DEr5x0x/A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 32922191c4e4b9033ac7b0896027bbeb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Iz7kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mIlyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CTPNvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FPALvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "08F6Pkc95L6yLp6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "h1IXPyH7FL5qQri+200cv+QPer7/Kg0/IOKHPqoH7r58i96/RTCwPx+bSb88EZ49BeOKP6W8kL6puhPAh4fivy4vNL6reFA+calRvpbB6b9LLf2/Su6OP44wqj/tOJu+drBXPvvfFUCZlVC/vOFFvgDfAEBXEti/Z7SZv44S+r9DR8a/8oStvuLIxb4ZtANADEFCPxpm8r5B9yJAceazPyg5yT9r9zg/NX4CQBpirD9GymW/uz3pPhi7JsBPnse/aHESvwazHkD/WDu+sEKRvjzP/r9chkPAeF+jv7zozb7a0ClA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9daeacdc4b6e5d4ecca644ce88a460d2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "aZ0AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yhWGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7zfavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nA8fvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YAJfv2njqD6xbaE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "/bB1Prl8G765os8+6ZZZPyvbg787hyg+r7Qwv7QACb+5TMQ/Wp8Sv4+1fz5jM1K/KeaYP1BaeD8Re14/sK+jvxN4C7+pj4u/+dvuvzPveL6358o/TZLnvZONrb94oSxAhZiTv4kNlD8MLR2/qiuBP60y5b+72C1A1JchP2/W7D/65Zg/QfOxPkw38T6Qx/G/70ITvhfYhz9v6j/AujBav4NLw7+8fmBAXyXrP4c5oT/pBxQ9AFiZvy2VrT8fXzrAEJDpP6u0IT8ruNg/iQUaP8OfnT/nE4DA8lSnPdY82T9fyZfA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 15676a104412716ca45976cc8629c9e1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UuQJxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Nex3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oyKuvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5Nogvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "O6q6vj4/DD7VIRc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "n8DtPh7szj2jcwM+HjV5v+UAv77JACU+gMOaP4zm4j1CE4o/IU3Ov83Z7T4/WzK+ir+Lv5kbk7+ZtR2/RxxzP0GfGT9c9Z+/moJQPnqrGz+evAzADhYZQMTdhz8Vt6S/Y1Omv4gKVL/9y7c/a0ogQMGC7D/SuwW/QIIqwOt+mb9BrsY/LA1SwIVutL7Gz5g/FOpAQN7DYj4e9m+/53ItQFz4vj+rRyXAtFU4wBbuA8AS5WY/Gcg5wD8Oyr+7kTpA9wJGwMNiR79MZmBA5ClrwPGWDsCCaz9ARItoQOw/4T835SXA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 70f5a18b0cb1e9c5bfded1b6918baa0a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2q/Rww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WHQrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "j4zVOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vCAyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tJPhPjrMFz+5/Be/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "N3xwPxRbIj4HvEe8a0eUPtmFfT+NkVU/bM7MPp+pgL+zy+6+4HZnv08ar78EJ049EnUPQPH6Ej+Q41y+MICPP8Xf978MFqS/eeqUv3mebj86qVg/zlLTv5Vv+b6vVTs/o3fbv3nr6z9fAYO+M9+cv+clGcDfete9xZYDQKR4CMD1bHG/trEmwNk2Pr8XwpY/DhwXQHbHyT/rkzG+PQ62vx2SrT8zIuk/ZcKWP2kZ1r/0oBDAmKe6vy8euT928Z6/BhgsQFX6Gj406oG/IPCnv8fONkBKTCW+uYQzwDI98j9rpDq+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e857680e74b4713331cb78800593cb26
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jMXsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XaQwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rYgauw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ojouvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "x7r0v17Xb74ZVgm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "N8SLP6LjOr4tFsw9mX6ePpG4Az+H6F2/prC3Puv9Sr9zFpU/Q1GDvzYgGj9OFUW/BIMWQGpfYL4tdmi9aD3dv3U2yDxh/XI+k1OAv2d5Mr+QOJ8/KGLcv7Winb87ERNATm0zwL8ACz4AQ5Q+056fv5qP97+uBTZAvgBxP01/qr9WMvM/V5bFv2rGsD91h+O/i7ErwHTru79VtgZAi9k8QAhF4z43L5m/BkAlQACGVz1dBArAvZ0wQL5uwz9C/5m/ImV1v4eOuT9iOCbAoA6BQBrJlj5PjJW/qmohwAwkoD/UXv2/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a3c32c6976ef8c634df35626447420ac
username: gastegger
key_value_pairs: {}
data:
  {"energy": "aC3aww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ehdgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "G9Q+vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "C2Iwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "z73/v2lXKT+DowQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "SqiAPwPTFT06FLq9zuTMPTu7mL9OMwu+Lfynv4ePU7+9Op6+7Rrfv3vaHD72byM/F6QQP3yElj9SYfU+vBwSQBJoBL2oETa/QlZVQArv3L2OWJm/s/rTv1aq2r7zNta/bIxGv90wnj+EToo/qLaUvwdfrj2NSPo/V/hPPhkV4r9ij0k/l67GPpLD6789GXe/lXTpv+Jlxz4XZypAiJGVP7ToBEDOFeY+F4QywEEb2j7yiAY/M0aUvywA/z69TgDAP7mUv7O3DUCiD6w/g9GxvzSZnb/FNhfAUygvwNSMi76tvt6/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4d7fc1f20730dfb43f17c3f790a239a6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0LIAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kgM2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "blJRvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "a+4ovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/MaPP1/vDr8/Og2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "MzBrP22IST4JLYY9PldmPnrFBb/VaWK/FN28PoAkyD6liqc/V4uVv984P7+6kja/IjJJP7QgNr8MvQ3An/zDv84dQ7/6hzs/YR9Uv3jyMb5MA9I/wc0JQMVvOD/Ky42+r5snQE87hz+yOw8/5KQvQHJMDj7af1q/np6RPwFNjT/sJBJAoFyBP5f1ej7WnCzARhJpPWTnnr9N5DTAiee6v6AA1b+HDp6//ncdwDoDoL990YE/D73ZP7AeqL+IiwvAtSn0v5QPjT58zrC/2l+QP4HmGT8ho0pAlzQ7P88HAUCBbh5A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9153ec4d62c66b3ac5a51a72da7efae3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZhUPxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pDd8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ev7UvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Z7gRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6j4Qv8A+Or+kwoA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "lBzxP2QEVL665Fi+qa8NP8kCcr+Q6Wm+fWwCQMTrbj/TARG/2OlEQBb4hL8w66U+F7ChPtjVnL/SoFA/LAA2QGCvBcBxiBw/O+j9vo8fgr7+9Va/K9iFQOJaFb+0iNg+r6h+v0a3Uj/Cvcu9V5uivhDK1T8k6JO8OS8wP4el8b8+mka/+l/xvyQNIj+By40/3T7av61MjD93aQRAGlsbwBFSmT+ev1m+ybo3wEFGAL+AfFU/T54ywIEiC0BEjAO/FIdRwOaOnj2LW92+V7sdwIl6wb8PeTc//79twE+QBL/X2sM/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cb18a786015a3dc722b636fb947b8851
username: gastegger
key_value_pairs: {}
data:
  {"energy": "V5nuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "twpivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KH0hvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bas5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ARhHP6mfr78wTG6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "eYYuP+Gg6700+2m9Ef6avuIGgj+A4Sg82Zm1PvmCmr8s9H6/q1m8Pxm6ub5cZqm/Bn6rP/4aqT5ikAnAftu0P/Hp0b616po/Y4UeQFQWRb9lZJu/R+zav7EbPj+xIPI+fjChP3R2Wz693A5AEzsYP+j5JsBrUCm/xK4HvtO7O8CbnbI9Wjv2PfQT/j8vrYs+Z8sPwCMaCTyhVoY/1s0IQPnzn783I5Q/0HITwKUT9T+N8gm+g2XNP8QINcC0NZW+UALAvwZKfj83eGi/eLrePlG7TMCQtMi/EJrmv+pdBD/agem/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 475c6d6a1873a7740d0f450f62d07c64
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nJoAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IAhwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0ELCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uOYOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RUcCP1xVNr+4dac+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "f9/JPneTLD4Czzy+uIwCv0//nj88678+XRecvgBq4L4UrKi/ekPdvyTaQz8NzZY/XcKHviEr8b+Bx8C/2lZkP23ruT7LCcm/GAjAvkacG0AU8Ew+4hWXP7a7Hr+ioVk/uRg8P156qD+kQQTA+88DPzfNrL8Y8qk/XdHvv1oJu77G4sg/Sw6Dv6W2FcDF/ly/0HMcwOnIyj97+7I/+tU1Pxw/FcBa06O/Z5cGv86hBsAt4CLA72XBP8bHqD0g1tA/b1bnP7DRJb7v4em/qfwSQDlqoL8mz3Y+4nwoQK/V9b9C11g/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a795ab3f37427979989850beec6f2735
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4xu/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FsM1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TiuFOQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rAU2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8bp2vw74/Lp+HVg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "9Y/5P3x2Wb6ZQuc9ACyoPwuUcD/LmcU+1km3Py2zxr9TTQm9zrlBQFDBCr6Z36K8mj4nPgKB/r9fVd09UFR3v6g9o79wyeE+i7aZv/STAT4ng4s+/vH+vJRKQ8AjzX46szoKQA5lFMAdk42+vJENvtLAmz9lMhQ/STr2P0+q6z8qFdw+SN9Fvz4D/D9WSSS/5XPnv9fB6b/VkvY+6Q6cvtTQ2j93SMU/7JOov5qOLD/HTY2/KUYGwJIBsD7nal8/f1CfvTOOHECUGau/D1LEv+m5LECenKm+s6AQwKPDMz9OfL2/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e0777101cbbf104b57791817403a21a8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fd8ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ke1cvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3Qx3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Wiofvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VwSfPuLkfr2Amh5A", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "UpTEP+seAz64wwy+aGhFP9B+Dj4uF6a/SzztvlSkWL6Y84m/ASi7PzDpBj8vOCHAsV0vP1rwhb4HjVM/wQ0Pv/eu9L6ZoYY+hUoiQDvUQT9UXBbA+ZNyPz2pGT/bOmfAY1aWP2MJ1r7NFQZA5U/nv49Her8kA2s/qqQCQOCfhj05AxJA0tz1Ptk9lL47ajRAzrPVv0l1AcACh50/vPwlwNkAgb86uB4+lCcTwNrnR75sNQdAp/Dzv9l/gj8NSh9AGihEwNrTM7+UnSxAthyVvyaRyj/VC/c/CaAVwG4CwT+1uFZA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f4f632d874fd63d3d3028579388e081c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "154AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TTJivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sruAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dNQhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/iuzvw3grT09fr++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "TdONP7UQaT0ryoK+2U+FPr01Xz8Twjg/iz4eP5qIsb8aWMS+YrFev42rtL/GKkS/8MbYv5Z7+772eLQ9cSiYvyPwCj8F5Ew/1L/yv6TPrD9qttU/Bq92v2C8k7/chuq/NkU7P7xN5T9Hxa4/SKkwwLMQMr/tFxk+SVGfv2f7G8DbLTC/8ye0v8etDECk1/U/zKE8PyWH8L+1yRY/NlG1P7yDBsDNtqa/cZM4wPvauj/rwsA/Gg7JP/HKwL/qFQPAaDmQP3cLLz+V3cW/W9ljPjLHaT9SSuW/vDwJQIshnz09CLQ9", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 83995b54cc0f4fa69425ebafc16faf63
username: gastegger
key_value_pairs: {}
data:
  {"energy": "H+oDxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "elQ8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rfkxvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "D9YPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "si4+wPuWvT9Lq/G+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "VXeHP/L/qD2rhfq9igfVPdOAiD8Tagq+DPmCP3P5iL+FtTA/ewIRQJ5Ydj5LHG6//XIPQIv0jT9y0tC/Jz5OQD+4Ab9lGW+/quUMvSgR4L++UWY/OhW0vy/mwL9DVu0+Djqav7UNaT/4a6A+9ZD4v3j9jr4vMp8+4rerPgWSGEDfjf++heKjP4KcJkDmH0a/Gn1TwAPJtbzmrWY+SKnFPbVgKcA4zME/tx5kwJGQKj+IifC+xNvQv9+92j9eS0M/FKl4wAPaWL9zQz8+7H67vqstM0Cproy/gYwEwMQ1F8DCL8s+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 60a9800d49741dd4d70359bfd89b210e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cZ0AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hh6Bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qmbWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "twkXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3SRGvm2QyT7Xhgq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "WD/TPfV1P74tHYW+x1yXvxaXRD5cfeM+IAUAPy2FPj8WBLW/elyBPC5t0b9KQzq/qJ3zvw5AHL88tYA/Bt5AvxQyEMAI8me+HWqqvrwRZD9M6AbA/xOeP6tOPb5JM2E/vpTLvy7s1D+u9x4/3EFxP8Gfa78ZZdE/3j5Sv43FJUCEvhs/D6eaP0wiTT90+6w/rPZFPzu4BsCCtsW/7PskQMEM6b52HeA+mKAqwEls4j8aiV8/t+ZPP1Zt3D97BYa//Oo7QCINkz63Shu+WM0oQHbyqL/w9Lm9Dj2oP7WfkT4k4vy/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3126b7f99ebccf811137fb11c898a7da
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Usnsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PgdGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "R+NQvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bM4Rvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1Saev9/DJb9K7zO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "6Yg6PwVJtL0N1sO7TVWDPRivl7/+vm6+oXbhPR4goD9hQyy9DWQMQMl5Hb7FnqI+Z0Wjv+MQk78HygO/Gtv4v1VEHD1UMhK/H4Txv2x7GcCKiSu/zzKavycuR8AcI2O/3KGevwIvmT/ucK++uA5AwFRmDD5HpEe/eRgkQOFWkb+84Vw8G5UtQEaKHT8tMIe+NigqwKWkGsDMIqm/Z2kxP7X5E0DFjCE+DajavxvVBUB0q8O+OCYeQJBStD2OC+g/Z6oHQLr6iT/1IQdAFTb8P+nnKb8qgRtAM9diQDVxAT2i4gBA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e4768948c018469d85c17b3a2d1b7b1a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HCcOxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MnGDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "je7AvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Hmsmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "N2wzvwfrH77IB9G/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "GoLVPivetT3LMLW+PYrRvmW4aD8Tjxg/OM4SvmyeZL/0hI2/p2XWPzfL0j5WYLe+RTu8v61FAj8Fyqo/oU4hQLEEATwLOrG/hVHCv4OTdr8R2sy/ZocBQCknQL2qkhjATqn6v2B/W7/+2b0/VOdsQJVTSL4I36G/fhL5v0H8nz/LF/w/J38EP/GzvL9ut8y/HImtv6cX078DqH4/Vbw7wCbakr8zdwlA+edHPXd0CkAq9DY/GaVwP8N1CkAecaE+UfQEwFEzt73v+KK/1LUBwEMv7r++uJ6/HrbAv5L0er83ZSzA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: de7a3befadf6332038bb325516da8c58
username: gastegger
key_value_pairs: {}
data:
  {"energy": "K0T1ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ObY+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QNo/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qb8Ovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cY/5vznWyT+taRjA", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "2CwsP38Vrr3Auhk8h/Omvm3ztr76eYE/H3QNPpFlAT/CVpm/mmfOv3l4Nr4OIGM/1Q2bv2sRMT9mNqS/dl5pvL1qRb9WfPs/+aQAQKoYtr6OgDg+QjmAPxOGUT8jZw/Abp4DwFAOpz40e4m+eZgtQP/oYr7DxiG/tjEiQCegYb/JOLA/69nyP0mIlj+Fgfe/66NfwEdZAz/s7MS+b6jXv18pkT+TqgnAUcUaP6aisz/ylz3AZhg+QOeHp780gBdAvn18wJLOCT4srAc/Gth4wJzkI73UEp+/j4VvwANhyT9LLQC/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c4edfbbb429b776b4f1d0723e317c3c7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HJsAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Gf5jvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/+fQvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MxT3vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+SwvvvW+kb4GR7k+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "kPmxPphZnL1H0s+9EQx3vxa9Or8t3Oy+78gNwAXbxr54Vb0+Ub4OwPTAuT4z0ac/3xORvyvwvb8W0rK/EcagPv/1vD99aKG+YgtSP5xsCr+dp6M/i4hHwHiXar9oRY+7rf60P0IP7b2MPJ2/WVwjv9cD7j/CizO/HrkWP8BIA0C7kxI/XqWzP8RMrz/W16e/KS96Pcgolb5o4wFA6kSSP76R2z/sig7AVbVxP/do0b8LwaE/HjUDQJl22T00PMc/ajqJP/s9JL+v7wfAxSMTQPJItL1duh1AI4oYQDeKA7+zLmu/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e888e2462577b6d332ef0b4a12290123
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VL3sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "z7x8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Rn2yvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LH4jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pWuWviUjBz5dM3k+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "8f+dPx1XGb2ks9i+a0WlPmEjR78Nq5G/3QNRP2mFUz/TJhw/lR6Jv18uHL8Hg0G//vHkvmUvYT9T/Vg/KTsqP2vyx78J0ATAqQK7v27oLD68JD0+V2Vmv7VQ5T/o1/k/btErvSzBF0CTDRNAy1jmvzJamL9a2Ki/j5zQv+RWH0D8UcM/BenFv+xngj8sHEdAifAEQGWr1r+0ohnA5G8qQErlAcBsX8W/IT4gQGjwNb/0syzAaa4MQNCPGMD0Qk7A6aBSvxQqsz5QfWVAJcsYwKAe1j5adDBAREL1v+ws2z+ktHdA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d68aefa6850ff74148fbac4c99011aec
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SOoDxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TGtzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NsikvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MQchvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "308VwG2Qvb834IM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "yBeePxAmMb6NvqQ9uT4vPxZBl7+K8i8/9iLxPmHQhD8E15i+zQAsQMXm0b5Cczy+bWkiv/fZjL97dG0/Lm5BQJcQr7+EPYo+mHpuv0wccj865BW+Tx5bQCr+mT6o9VC/4JC2v2BFnr2/Oeg+0RSEv7869L/CwrA/FlA6wCRkfL5oDyI/Yy1HwIy8O7/4Hcw/ageHP8upBUCsLjm/g0avPpT9MkDO12q/tylWwP7RQD8l8is/0JpiwLnthr9e6AO/yotXwNjyDb+kTby/h6VHwCr2A8AU3hO/P82TwJoVk783e7u+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 44d93a0fe3e621a231fd783cc38ab057
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pLLuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "deRIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DAMWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "smMjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Kcu0v6hXSj2iXYW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "HC5KPxvWyz5fqVu+1WmUvlPaLj+ZOIC/unq3vzCXnbzkNlu/49nBv+d1iL9Yh+I9PC8SwDB9XT4zt72/r0lLP/22FL9LUz8/gKzfvkpjrr+WWGQ/th2yvs0+GMDi3Og/JdCmvP0M5z9/5/m/QyNYP/koxT8quCTA7u4bwBKN0L9bvFs+Ok6CPstESUAc4Z+/werkP0k/Pr8i0bU/8wyOP1fPQ0DhLxO/TQhhv8TK8j8s4yfA6ZMcv8SWXUDOWCm/YGjePuDbEcBw4xxAFTWavyVDLMBryQ9ATNnyPnk4e0Cvvf2/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 98ecdd4c39c86e7dbb4f8a78c392a454
username: gastegger
key_value_pairs: {}
data:
  {"energy": "58XPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "B2IJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "O1U+PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Vvc4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nS4Lvp61272/fS0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "0pedP7PJgr7u1Dw+I3L3PgsbWT/c2a8+45Vtv6OlXj/Nzw0+bg1zP6sgCUCfQCQ/llO9v/kMsb425K++6VgsPx9Qur+IC7i+lws+v5Flub/KagK/vls1wNQ7Tr5u2jC/LmaYvzt0GMBFYVO/JG97PwDMEMC8JjQ+ciVYwIq7OD63jZ89hwj5P7rXC0AuPk0/uUPoPi/XIkCDTbc/Y+KXv+bj0j8A3e++KoQsQHOZs74ejvY+oHxDQDsF+D7EI4s/YNRPwIYFib+ZYoC/GyNTQCMpyr744N2+tnk6QDdYor8T8oU/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d97737affc6d40d5a29f7022cb917689
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G+YDxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QiNovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kKKuvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+tEQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2QgOQKZh+LsgJCs+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "WY65PvMat740spG+QubBvkFH774vHEU/+J5fvvRyIL4hRc6/LaW8v6joaL3LHOi/zwriv15m1L52jgo/5zEUwNJ3H75xpzO/pcbcP8xE9b460Ea+SfsPQOGU6b3UOXm/PU3nPnUjvL1yKR7AIW5kwM5UyLyhKVa/mvuAwFFx7L2I0Y09np4aQIv+Dr/CQoo/DJ/hP4fCjL//v+I/3IQ0QAVQQj+gm9g/knwlQBCs+z9Wrpg/FcpTQIM1l7/s4HE/vEFXQCrFKD9iWShArLACQFI2B0AFz4c+DeY6QE4zN0Akxtk/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c50962bf4681c49373f266f2a8b930fe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2qAAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1ZZ6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cT2KvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HHg1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "omLcPW3KNT+dgGa+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DVADP5ExoD5upf69JQZgvwmCZD/Q/GG+vDXyvzu2jz5kH8g8YmB+Pw816z6T4Yy/Fl2LP98Rdj9jnww/srgIP/HNkr8rGqM+Uf1yv/TjF0A08Sq/9NBjPfPOQEDdXGy/xfBsvZOh4L9HGL6+LFQjPaf6n7+m8qQ/C/z5PyH82b/A0c4+QgMOwE8LNUBF0jq/wZQeQPGV0L/Vdg+/fewkQHe2j7+30Yw/PrQBQIdoScAVAFc/uUWJP4hedcC3nI0/b0M+wHXtDEAUxv6+Y7IZwBC2cUAaioG/1N1DQGSnY8AyJGc/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ee5c71ea59386b582f341a69e06b655b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EmKuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xVYwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DkltvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AwnqvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cLGSv24XmjwWNXg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "2jqiP6NtoL0N3pW+qkMFvtx6kz81SF2+Qxmsv1wF2D7Oxck+BxI8PybvUz+ASWM/MgmlveCDCUAuoKe/gd8OvxUy4z9eIw7A7t32vlbT0T2OTsw/kTFzP7A4G0D9PcS/6HxUv4JDeL98thM/4afKPq1akr8A4J6+doq7P/o8uj9Mf7E/GKggv9NJQ0AG8n+/EWwYwGg0OT/s9qM+uLoYP+upGsDVoYa/8sdAv4borD1vNilAofZivgFvJcBh6+G/KsbFP4KrGsDTWcu/UOC/v74a5L8Nb1c/RCIRPwoSUcA8pLa+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3b96c385d8eb628136c1cfb117c3ebc9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "D73sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1EV6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KA21vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QL8fvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NSSmP2rZyr6fPCw9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "bhK3PuMf7r2p8Za9x0pev1V7aD2Ap22/XaP+v2XGRD+3DIm+Q8YLPnN1g7/1X5c/GENLv4u7zb9Kq48/+KqAv5pbr75s0APAg5o3wMHrpz8KMoE+1GOsP4gDmr8Y+w+/evVJPgUzBb/tYwlA+vR+P7i8oD+kkGI+avitP0wr47/7T04/6E6jP+gsMsBmCVo/h2poPyXB678mIau/QqEUQBA8Wb+Cumm/7spWPuoP/T/uKvM+Tu25P/ghzT893ji/ZQD1P9onmD/V/qw/ojAnQH1B7T4kB5w/Qp8ZQB+IBEA0ers/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c1c29cbb433c96151404a0eef89f53af
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XyS/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7bw9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YqOsvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gSgovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WMVrv5BO3b417zg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "42aBP/ih6z41JyW+lXgNvAj56T6Gb5i/tvofPxZ/Ir7b4oU/WyQcv4pqNb/7RJs/LtHGv4PtM79Ui3I+VzbOP3b2PL4YiwdAu+Gev4KCwL1kq4K/AI1JvyKlk7880gtAVyuFPtYnbT94bAjARM0gQMsmNL/CceQ/rEkhwGSrk7/T3tU+keXzP9yKVT+/VxhA7B4NQIovcz8YQVm+VUOXP1l+ML8y9z5AZlgXQJ/orj9eQpC/PcsRwPKlpb3EEwfAenr0v2n50j5hy0DA1rpLwIIz4T6OxeO/vfMkwDzzjL/h9hfA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 536c2b7ede9b3732d00039faaa245b69
username: gastegger
key_value_pairs: {}
data:
  {"energy": "77vsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8Sprvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4ltYvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+BM1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hXwoP//KSj230WC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "4V47P6wqR751HTo+sRUqv06nWL7w3To/kSPCv/rkFL7FAAm/bDszv77WZL/pf8O/vB2Ov+RGj74hdfU/rkK1v0qlpD8te46/lIcLP/oO3b1QcKm/GKmrviy0sb7e/yRAKQMRv6rD7b//r5y/YcfwP2PNhr4cXzs/StcePcncpz+IS9a/vVUpP56gBUBm95y/7Mc4PdqFuT+5bzDA4ozMv8TwAkA5mrO+OKiyP3t9676E1PO/iUTmPxM+0b4S9QdAKZ4JwLaRtT/SbvS/iFkuQIdp5b4vwRhAEbQhwCy3B7+vJs++", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c46970042c5be661b275e63d49995576
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4b/Pww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zLc+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Yp2qvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IGQpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Tx6aP28vib9gPKe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "mD9cP9qHZ719/Qq+oPmRvmF6075974S/IsvBv9ONsL6asIq+B2Tav+9OEj+ylT0/XEk1v4DXgz+jHK0/THwuwD9CKb+25n2/i0AWPxlrIz+uHn0/pa0GQBqwxL5tfhq/9IWtPxqCez/KatU/abg1wGBRPL0MB/O/le6bvuLVeT4Chfe/BzkuwFxx278OiqW/FrdkwO+W9L4sCKq+uc0IQPJ4kL/gF6S/VNNSQAHWQ76UA0w+jvwrviZUuL8ysrW/AcpPQBujOb/vT5Q/JP5bQA59Xz9MrdI+/TOFQBzXC7/t7ra+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 35e4f5f084af3ef87bb140d86b9e1dee
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DMbPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CMhXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OJ4PvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "euAzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "U5YhPVtCjr6aQge+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DIJHPxx6r74Ozv49snmnPYYFtr9sbM09Xpv6u9y/YD9GwmY+CMewv2g+tL9UGaO8Xp7+v3oTr77bzdi+TWebv1owPz8Mlhi/yL0xP34IKsA4xh0+08mZvi9tgz/XpKQ/oGziv/5fyj/GFTm/YAxNP+bABUDIjm6+MubYPzM9KMCTs3Y86Zv8v0fWE8AIwcE9mYxsPmi5WsDC/6K+FlOPP1mk9D+i8aG/MrMAQO6KFkC/1Ck/hmIUPqIaPkClsnm+eSUqQFOWvD9/ZzE/l+nZP9QCJUD2QNg/5gcmQOLeTEBY2Jc+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 922684456b1a0d4562c5e4699d2ad8a4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TpsAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vt2Cvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cjbdvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QyAXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZXCEP1WkOr/kTok+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "/+r8PkQhazzvbjo+yBRCv1pys74rCwu/d47Yvxgx1T5qDim/5W9hv0nM379ZXpq/6eYMPwOnvT9u4SA/kLYbvn75IcB3Rmi/PKzfv4CP/b8AOgDAzH7gPiBGBUCNUpO+4FcDv1tv4D9XNMM/SsuVP/dpir9On3Q/nCzsP5/b8D9utag/SgDhP1U6G7+DQ5G+mjb2P9Rzsz/hCRNAmastQIOvzj/i0DY/vn/OP1kjoL/sXoe//Eo1P9cQBMD77X4/HOPZP9AwTL92su0/8ovrPyiDPUDSm70/rT6qvxhM1D8ca4I/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a6b9026b6b9e0513db07fe4884b24413
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nqruww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SFFnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1VujvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XqMVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7iWNPTUHGL/EfDk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "tM7VPodgAr+RR9k+xId3vy++Pr6voH0/9Qz6v0tZAD4Pmbs+0Fdev1vqm74u6SBAiWwWP4O4HL9tVy9AikOjP7SGOL8I7cs/7CcVQF6WcL+hc78/lz6BP6qOOr84wm5Aoy5QP0toHL8UpUi/MNGZvy4mID9bST9A6EbEvfcBy77LCPO/PZKPv7FgOL+wpti/Iw3Fv27zi79oCThA3H4fvoIKij9h2xTA7peUPl81fL8mai/AL2ESv3aW1j9vesG/Cxxav9FKkz/0TkvAMDGNP22W0j+xSyjAHgDGP+jIiT+sGFHA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c1b7746c5cde76cee63e40d470c41d55
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Uh2/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KsQzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "FcrCvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "52obvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HF/rvgzI3r2gbJq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "bLWPPyxodD5OBsM9B+u4PMK/s763wDk/34mhv0vavbzSUNo+A5VtP3P5iD98V12//P26Pjy3lb+eH+Y/KCfCvjBB5L/9nwVAlN3YP6VG379QZPU/6WUcQI8LdL/3ivg/Onj6P8NTG8API4w/wYzLvz4SQT8CAka/t5gEwAETq76NAoo/vfuzvtOqrT8bqcG/VtflP6pn0j8cK5m/uD/fP609E8DRzjZAMQmXvwZgfT5O8AfAaRvfvr0KFUB6d/6/AoE+v1lfPr9uNAvAIHnjv/HKCD/+1D7AG0cfwJd7rj9uzzy/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8e9621885030f7443934c068dd6ee0b9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Mb/sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UcA2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "p+ddvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zoz+vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "heuJv5bnQT8z3Fi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "6C2CP8SQ/T5dQQw+iTGCvTEVJD6X6YU/sX9ePzWGkT8YWIW/MhwRQBRQGj4jjxA/zWHwvV2OtT+ZDLG/cOq7v6UACT/96Ts/LA32PxrJsj95xPK/OXs1QDGFpz8xkby/7UKTPvFsvr4GvApAQ3TqPwlxDUDcDx/ANb8Cv6kQE7+2FDFAb0oVwK69xL1B2pS9MGIHQCPHhb7Q9bc/5FIFwFNzp7+MBF6/7pWNvyIXBsBV7yS/BVGNvwinN8BwrKe/W7c0wEkIvr/+edS/gUVVwMb2oz4AZzC++7Hpvx/CtD/itKI/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 74fc31fe4124eab23e6735d39ab18fbb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "usXsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WyhZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "z/MnvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Zysvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iIBbP8A+Yr8QBo4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "kZixPSpZAj3YUYW8ugOdv8MZhj7ZIrY+c4aQPi3yrL86XBU+gQl3PwccjD8qUvy+/p4XP3dvEEAAZRW/3qp0v3z56r+/ixk/kMnsv4beWb/ORzg/TjL6v6aUwj8cs8k+x30YQNvMNj8OHmO/m36dv+KONsAxF1c/vdH/v+JS/D/nDRm/19KzP1C+B8CakRe+RtASQHgz2L/XhFw9DhAZQNQH+L3F+su/ypiuPwYjQ8BJFX8+55m7v1aiDkBCLIg/GFk9QIvu0z6971G7JiE9wI0epD8QoUA/G0Y3QDjOyj+kpKq/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 543eded39cac63640edb145aeee9dda9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RBLcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2pBfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LhqSvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "w4MWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "095gPmcPhL6/Diy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "bo+LPSD5XL1UXNy98vk+v5B/8j6ZaHg/6rtYvvHaqL8JMna/67OaP5S6yD5liyy/JAb+v1uPKT1Hc6I/q5wewKk2Pr8DlTU/nvgnvudwyD9cPug/ry+7P3biJL8f2uO/9XqGv0ZD+7/NdDO/XxDmP5wzoz9zfvK+uViSP/H0+b/qkI2/y0/PPznDAsBq71O+SXEhwNJt/T799QVAky3/PLvvQr/BpxnAv5FjP7DF6T8/jMo/H3VBv9+ZCEDl7SxAM9f0vurDIj5l4ivA1McXQDduE7+cFBjAO2UbvWHIw79bC0vA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8490beb1a669b8c138da4bce51f3628f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "q8LPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KnEdvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yD+zPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "I9kzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mGm7PlFmgzyPqtY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "9ABKP6pSXj6zuws+R/SZvfdjhL3brUS/pVQOP8oQuT7YxMI/N9+4v7etSL3g/ce+tADbvyO5Qb5BXXk/YCIHQFgV0z6F406+dckvQA23sj00XgM/AYNIvwXJID0syPM/K04OwMtPXb9QD6e/+n4iQDoIRT5GT8m/ohNmP2kqoD8Upe8/kgQaQHC6WL8tU/O/b/ItwHV/+76G8Z0/ql4DwE+ZAr/AqxTAYW75Px3/Uj+lRA/Aeah5v/z6fL0opT1AGedlQLAz7z6AkNS/NVz6v4FL97/nRaG/GjRSwKXBQL8hnoi/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 53af06bb7a32eda9c38d6f2d03760102
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1BoPxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "d4aBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gbDTvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rjQZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CrrtPpWC7r0CmtC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "bsflPnXZo74HogK/1psYv0V05D6e66G/0lN2PtjNJr9gwEc/I+7/vzcgID/jli6/lZqkvvwEdj/FUBXAHxzWPxTiD78JLa2/adgzv4G6xL7A0p8/X92RP3Tnqr+yGN8/fuQUwO3IV74XOYe99NsDwMuG9D+HdAo+z4IRwNId+T/etag/H8WrP1q5gL/ychPAnvMFQIre1j4IM8+/YqAnQC7HsL/hNTO/vEEJQJ0Nzr/D3rI/JbRYQBubvL9Q3aK/1S9BP+asyL8ltjdAIXEqwPQ8Pj+Ki8W/t5Hwv/BHNUDk0Om+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6352036b3e4620fa11e132efc4815d2b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7igOxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iLxVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OWFCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OiQlvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yqYkP7G/fD8oJ1q+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "P6QcvpKCqD3m/cE+9sqlv2EQW7+nfik+9hASwKFCSL/q9Ys/floMwEh90z2s0AhAUUOVvR8zaT/XBrE/3cVKP3INzDhD7BO/03qQvxUiaT+bCRFAmeiIv0gjzT8dRUZAn4ouP3/WO78uv6G/wu6uv/2T0b9HlUC/BNwBQJ0XQD9t6RC/THvuP/5R2D9skQ+91hE0QPF3TD7yPO68pgQfQM+ygT8s5f6/bxtDwFEbUD0D1zJAWR3eP6ob0D/fuyDASNUoQCCQgb4dvyfA7qosQIZAAb53mGTAYKNbQIQbyT/jmvy/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 994bc62a3838034f4d15c114563f5898
username: gastegger
key_value_pairs: {}
data:
  {"energy": "10b1ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5Gk5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CFcAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IlQZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tvjsP0W7Kr6yS7S+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "OIAvP/Mv/j7WV4e9cF9ivQNiEb6lFY4/Lfmjv+Appj0tW7g/NiD4vPxkHDxqpam/wDGdvzqExj6cbs6/w9QnPwjdV78GzAfA9GccPz+Qyz+MPt+8vFECwITagj+A1DS/T+ZoP/DXer/vN+U/xJIFwNW5XD/wGSc/QPM7wKFSpj/M7ZU/zj0HQDk6UL+XAZo/0q8oPmSuq78TATbAz6QDQNLvdLszmnw95YvKP8sqj793Suy/KPdDQOY8oL9Hyr0/VKI1wFr1zD8MeJS/K4MvP2Zlzr85pyhAsYwzQDN1KT8+0pC9", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 20a7d4a1aeb76cab92c841ed36717ad6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kCO/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MSY9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/wmuvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8WQnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "D0Vxv/3ZT79Hybu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ZWhmP5EKNz0OC6+95iUKvS2EcD/vThE/7Nqvv+LuNz9KBxo/RqeSPrpxib8z/y2/jGj0v33X6b55cRa9Q2cUwKM01T9vAKU/otSHv7y8p7/ZXye/ryflv0gNIUBBidw/iEViP/Qj3r+C2pK/vKPSPumr5z8sbYQ/mTw+wKy9KL+N3ti80qqxv7GuDcCMzZO/KW83wLoHlD8xyAVAvq8KQGuvjD7lWNi9XltEwMoSA0CiPBY/Zh9BQPV5Lb9BT0i/21s+QFtr2L/BR6++EzMyQAusSL/+yu2/PtmBQAUJs77+Zje/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 10f00070cc23091e01cd54bdc505038f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VbLRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "t9Qxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SQ8DvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5RARvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BTSBv/bRYT9c5jw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "P5miPsKScT6JvdQ+Uk8lv2J8sz828tU+4E7Zv27UaD+Fsxm/abFyvzVjrDyVQsG/YpfGPXZ5Cb+6ZTG/+E6pP659pj1YB6c/9V1fP5J82L8TYIO/BxGcv6G05j9oe+M/7ZKjPwzeCT9cuwxAjJjuP+JkRb8FcJo/HUTGvy2CMb+u7PO/CuXfvYn6EEAk8be7o6jmP4iuB8Bi0qu+FT3dvxmhdT9hRxBAs5AWP9YRDsCuCPu/jLHgvrdQCkDeMR1A6Kr4vyJgJ0B0SNU/WuoewHJUuT6Zulm9YPYKwHIv3T9/9pK/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1f205c4214486fb3cb530d85b8d8cf8b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vq3uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "buBevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "842IvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dJkavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mWSsv+zdF79QNqk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "bDOzPx3vOL0aaQo+59I7P8FdHz51rr0/j9A7vyMkSb5rZrw/2Ma0v1dD8b4QFrI+yZipv3iMCb5jGy9ADZhbP0n6mj9eTOI/yIoBP3t0fD4nEIu/dFM7v4nw3r7G0l9AT+UiQCgQzb5LPT07rbFcv+RQ1r4Pl4e/YQwtvwOsub9UVLS/s9UdwLLnOr/Qyto+VFwPwFUnD79iCjNAR0ykPyz12755qA5AALXpv00Ydj7ZgAPA2pcCwL6Ooj9y3uC/xDKyv4yZhT7Bl0PAUTMxwPyun74p1QXAIitnPzyMdT/a/vy/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5cb4e0e66e386fc16c7879ade2d5a41c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nK/uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "c4Frvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LjeYvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3GUfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SYCuvxZqTb6if8K/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "SGaJPiu4YD7tHKY9k6uBvypGsb4ubDs+1IDYv9uQbr4oV3m/CwUGP1XJIj/TVqm/XcPJv0JUf7+NlK8/eeuDv0wWkL8LkxxApCNfv85a/j5py/+/Qm4swIXoGr/q15C/MaBNv/04T70WcjzAp4ImwJrosL/yA5k/k4ReP2/z1T+CBKe/Kcyov5w0vD/lEQ/An1aUP7HJAD93J4s/f0RRPz+/ID6umARACKINQFagiT+gJmI/ISLMP5kZdb4sify/1O6kP+knpb+gx/y/O3siQAYYFb5Cnre/lUXgPxT2lj14nkDA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e790cd45c682951f556fa035697e72eb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "p8fsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2T8/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+BcBvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2/kevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4dEGQJF+Wz/ir0m/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "IAccP4xC6T2R53Y9gp6Qvhb8DL+abWg/+ZLKvyoCBr+nocE+31WVPcUCpr+qbwVABz5Tvg63KT//mIO/LY4BP46wJr/a7jZA5U/5P5+6MT4Dl2Y+xRC/vy2tij4BI1q/de0iwErqh7+27WU/v5JKP3EQBsDWhu0/qSoZQA10gb4J+o4/sJZYvzkM3788AB5AaBc2QI0kSz+yqCa/w2oWwG1vAT+3Y7u/lxQnQHPTMD98vdC/x7BzQJMYCj9Rr/i+5om1PtdOtT9dRgPAFZioviqR7T+PvCnA2weGP3Z5BUCRZd6/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e19f19143a040b7a7e2dc032a568e306
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mNAFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Dp90vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wLKyvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rkUbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gjlqP2ML0b+8kfk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "B4OcPzFb/jyipUw9Z97lPZkkhz9E53I8D1YFvwursT8yoH0/LSZcvm6X1j/g766/V4FIP8bJur83y9o+OFblP+2adj3wlWK/jW0EQOvpPb3GWKc/2jEvv5xb3L9Yfz4/qQOQP4ubCsCxgKy+YBuOPutnmD9v/g7AiY6Fv2DXhL99fsM/bWQuQMc1Lz9J3eE/7+/bP0Adpr+GIs4/qXH+P+Oy/b/2ARpA5w/Ov/rbx7+YEN6+XbVwv5cMKEAAw72/KylRv4LULsC5kZM/JeCmv0lXgr/MPry/FZgowAPD+7+ZlJW+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 30eeca266553c3a502696955cffeaf39
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7SW/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Hm08vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jQmxvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7Esmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "H7+fv6eWLb1N+AU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "EE+6P3VSh7sCE5K9JA4wPzvEIr+i6mo/Psssvx9HIr/cDX0/BSKyv/+Syjz8+Bc9wAkoP2VyLz8rX4i/SQsvQNxS7b32re48apqdP8V9j78PFs8/di80vzGYND8B6oK/uhvCv7qutj8pEATAT0MewA4sAj1H+a89udSYPxfMmD/g5u2/0LBhv5Ba8z9dIDTATfyjvyNzsL/49ghAAwdxv5RKd7/jMEZARjx+v+7fG8AZogdAKZ8XwBDYqL9j5wZA3ApMQB6ZwT5Gmzy/XY8MwPBwPD9XuyTAuuMIwOjlDEBSAM2/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c2b8043677167e5f0ef2ca1a1c4c328d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "azTaww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OE5avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BVAMvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Nzo3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "izcqP6hvOb52Mvg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAALRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "6G0dPu7eEj59s/G+pqspv7xwab+/mQq/YwckvuXWqz/RmJS/sK6nP94HMj1nKII+Rdjhv2jhRL9tc6S/imUEwCarzj7pffq/F2PtP1A7Yj8uibc+XUygvz8EvD/V1vG/aCoCP23UDEC6FY2//rnTP6fIir//64s/+Ac+wHUlAD/odSPAAT8bwOqx0L+FX6u/INKAP2Tj9L9ENUs/vt7CPzHIV797zyRAJJ+CP49/dz4940lARvHxPyWq1L9DSkxAyiIjPwyziT8D3SRAdYB2P83qqT4RdIdA6cUrQB8ps7/W4F8/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5ce9bab3056efc7b5ee4a9cd2dfbcaf9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "R6ruww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KA9bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tD5lvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "e78hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Xi6Ov6uVyb3XNJO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABALRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "faCrP1pj2z5M/G6+/Py5PhTpkr3Vj6K/P25MP94Wuz/Z/z8/vjcZv9fXpT8AJJA/Ez2Kv+6ymj4rDpS/BDRuPz1PHEBAPIg+k2PAv2qanD+IvG68Q0e3P5wQuz+k59E/T7Utv7e14D7Wz9Q/4zgvv7Qilb8CaXi/UVIgQEJDyz2KSYq+vmVTP5twOb7vtA/A03A5vzKT+79JGY4+MYvOv4k/9T7jlwXAwuvMv9+vDkADqOS+K70fwBLNcT/oqbM+/M0Lv9+Pyr/R87Q/BoVwv+d+QsCKBLk9c8Jjv0Lu479/nuu/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a4e2c77e01dc6d1555bb4ce7bf6feaba
username: gastegger
key_value_pairs: {}
data:
  {"energy": "o8Xsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QfR0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CVSfvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PEolvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QrLgP+v/iL9A3qO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACALRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "UDGPPxtvIz3R4hK++noEP9uUNj98kEQ/1KjbPk46Tr8a3Je/Pb92v9IW8L7Q0am/p/cnQJd3kT2XUj2+jaNkv1LhKz9jyVc/nd3Zv79hWj0JVZW++Ku7v4NlkD+HxuY/e847QEOO/D5uLJO/967Av/4aeb957QDAInw+wIsdRT1Epp++tDA9QGgwQT8aKhk/fOBTwNq4BT/DOwc/S08WPwGT7r8Mt2m/U9pRQL7Fp78XrL+7Qy4+QEud4r9X+m8/ERdyP0GSKr8fNwnAtpRBQMSC/78xo1G/yLqLQM/Emr+5Nxg8", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9f33681a39e0a9d2b65892f4f9f39a3c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rhkPxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "x9Zzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nMDUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eXYJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MgOFvsAJhbswZF0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ymyqPFDaeb6ioGa+8i+Sv7J++r5WUpW/2yEJP1ZAmb/4si695BgQwCILF72Bf4C/LQ7gvivirT7oX44/xmaFP2FGKT8Smmm/F+tgvyQCs797wBfAZURxP5ZJgz9VqwPAfpiHPcIRCcBIWBvAepicv1rRlb4Tk8U/EmFcv3vHqz8HZng/HUczP7rCxD5f4fo/Dn3xP4kXeD82k4i+nK7VvwsFrL+xUUnAn6P8PsXbZz+2DU1AWsoGv8DXnD+TGFpAbMa7P26QgT9nNoNAgY4eQI5QMD8mhnhA//6gPzYMtz+aZ6JA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ae7901975fafc20dec955d4b5fbaee08
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mMLsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2lNCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mxsTvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "84wdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ODIPPED2Gj4cmUc9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "NSsLP/2huz39npu9Zi9nv9Z7bj36o3o+Br2DPwz7gL9teTy/M19OPhVkA8Ans4e/c9jVv2rTcr/xhKG91F6Mv9HcAMAPwTy/9iTgv42oNcCHIH6/xRy+v5Oviz9XAGg/Mh4ewI29bT9R5IU/PGk5PykvNsADU8m/YFNzvzqeF0D4Qaw/h6enP/OZhz/8nWg+W9wWvlfbD0BavARAE+0OvwNpPUCK4QM/eO3iv/y0OkDbyuc/p30tQASwdz+RqBW+MfFMQLSV2T28uKY+ILs1QPpLWT8sdJ2/+G9OQNRM8D8XViw+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 23b455df5de1c0ef8d6bf54bc7111021
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jRrcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aahBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DB4mvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iEY3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gSbCPE3zdj//PuM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEALRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "D5eAP7Q7CT4apwi+Wt2/PSVskz87TU6/ul9sPj1vk7/FYvO+HL6Tv0YOKD/BMVe/UAibv8EZOb/T/Ei+DaAnP62oDMCikWO/itGjv6DXFL8Cnak/I1P6v1iBtL+TExm/m/wSP1WEH0DXFKC//lh0P/MRrz6Hxao/5KtWvlSmzr0i+fw/aulTvnUvBD1ybUNAT18MwBpLUb9gdu0/jLYCQLL0Bj6IOfC+gxKAP6AyQ0AIStG+prsBwEi0lj/LE5y/jcZzvuyERUDUtda/tfXnP6Fw4D27Reg/86iuP0+sGUDmWQDA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ca0251ddd76a3417a272bdbe03186af8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iQ2kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kbUmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2LeTug==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IY4lvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1PH4Pk0VDDyLbGc9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "R6SRP7hMTr48GME+a+rjPkTnmb5H5E+/FgkNP9HkED+Eobw/1CUlQBJ4eL6Yw74+50dkv3hw+b2Yhmm/RJ+FP31jGr+fO9W/9Tlzv6s24z4t7bo/SjDNv/OxKj7wbqU+glvRv+RWlb6YMA3AK588QFIsMb/FraY/o/87QBpvWb8Apuy+g5N1vxf0EL+PT0HAyxYswMwa8z2qu6I+KwdeP/IG0T9tP7U/ENYJwJDUID+JXCDAUrwZwL9+ib9lpQjAutFBQG9CQz9ubpQ+m6J3P+eXQD7esBpA3S29vxucIj8H1RhA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 392c09269c08a790ba08ff3b87112728
username: gastegger
key_value_pairs: {}
data:
  {"energy": "66Tuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "g/lrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1ZN5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jpQtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RIZVvad0wL6aQoe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "INxXPxUK9z2ZdLG9vui2volKZj6kIlU/ZtXSvzTPbr5+lDY+1gYdPxEL177thr+/T1Dhv8OWzD4AC5+/0aMDQPtO4T4e5zs+z+1bvyymQ7/kxN2//xCevqMWIT8Dc/w/SNezv8Fctj8Y27C/mM8RQJOhbT8uoLk/84hOQN7VjD/7Gbg/IzmeP6F3p787z9K/0+2zvzwlzL/+xwq/I9KBv6/Ekr/Aly/ARcVyP+8Wpj6JfQ7AI/4xwN+7oz4Cp8+/8EU9v3iCFMDqoIi9ubAWwDg0BcDZT0e/hTEewKZXB75CLGI/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 393d62fba1bddbfa2f22bd7e53977189
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2bDRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "liI5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qwdMvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "G2Isvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SOEaP/tcDT95zCA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHgLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ECyAP5Lgw7w/fgq9Qj6uPsBllD9RO829FUB+v8P6iz/+quU+3xaqPtq/mr9lce65owEXQKISIj7kaT6+Bq2Ev8qgmr/3uJW+vmQvQGx2dT+niZg+FdjWv+AG5r20ThG+Ga9iv1q2bz9r3cQ/JkfWv7XjGkC+5jA+fIEuwEvIYr2qjN2+9Q47QDcdLL8HE9C9m0jhv3jWJUA+Q2e/CBaOv7y3T0BD4Rw/P3+BP8ACI8Agb6g90kGkP6KxPMDkMGe/qCT2P9JSIMBASzA/lxqvPol1UcC44Qw/1WArwDTBGkDvUhs/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d9d972bc0a473ec2936c496c83495357
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4Lrsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Hy4Zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xCQcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3EnkvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QznxPv4r+75T0Jk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIALRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "cETVPmBeDD4fY9u9Jos4v4A0c71me2u/gr/8v2x4lL5CR7i+kvUEwGK3U76pHmo/qah/v5cIrD01eOw/X4RFwE8DwL6SjaQ/6QVrPkJKeD7djqc/PcPLP5jkXD7dqUO//SKrv9gbcT6RhUxAbEyNP9JQ4T782vU/RfELv5g6VD7V0nRAXxIEwIGxyL549WBA+uDcP5oROj5elQnAnxggQDbPxz5iw02+ATFgP4X95r2hJyfAAnU7QAZl1L6hCS3A67xzQNscvz1L3hLA9zZCQKbhvr8tjx/A1Rs8QGtHi77LXHLA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 505d33fb309154de06eeb377765da94c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EaEAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "knd+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Yf7KvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YvgYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1eeiv0opMD8hPIo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "yynTPqPtPL6MpxC+fvstvxNlSj8+MwG/Dh3UvyEEez8r2T8+xnH+vtyRxz+pdOq/CL/cPTYdUr80JI4/MlhAv5kNC79s38c/QbpxP3vJ37/X1dQ/gVwHP/xtaL/Cr3W/ByH6PpL2rD8FHCDAhHPLvzDtIUBxQwzA/6GvP+TWsj4z9Oy96a79P91IBcCIBI8/YW32PhjTE8DIzD9Aox8jwJ5yAED7ChDABZTZvzO8UUANJ7O/Lretvx+1QEDvBEnA6c8Jv3jWLMAYdTtAMR/6Pvuew79E13BAHz2UPxDxRsCi7FJA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f734223c48cdab6b43b71e86178bb9b5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7rHRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QpU6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EOfhvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YFgevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "t3+dv2Pu2j4AqUW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "f9opP11fXL4vOHW9Im9Av3al8b7fzF8+k8M0P+eoLT86Pqi/PDM0v1JHfT/84cm/byC8vwm5Wj4j3ja/fR4jwNndaz66NVG/JZvTP6BsFL90sQ0/ebqNP6QifD1vTAjAmy2cv6T/qL8kZJw/EcMOwL7BrL8CSaA/8gsiv8y0mr8osyNAnSnmPi7ipr9QiB5AN6hcv8Bdgr6ut0NAC6bKP6yL9D/zII+/4K+Bv4iPAcBXXEtAOaaTPwgqJEBHKLa+Nlp9v4rifz/dCyPAm80kQDPeyz+ZZ0m/X4jXP5XEHkBH6QLA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 105bf38d1d844eff4efe6c17a3681f4d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QpsAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NQeAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LhrSvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UwEXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0LjEP2uCKD9Pr2w/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "LMhiP55HJz6hdki+FBGQvW5wJD7kiqu/kYhlv1NMMb9Hsse/gYEDPZ1Qsj89mBHATV5IP41jCkDz6/2/NFbyPssulL14X58/zqiTP9gLj7+dWfo+WusIQHnnlL+l9Dw/+0R2vy4e3b6UEMw/DhDcP2KtWj/FRZ6+fiYnv3vewT98JVDA6Z69v5sOUL8IADY/DaWcP/WtKz+dDhVAxQK/v7kB6D6ezfo///F6v8X7r78J/ilAJ9YRQCOxTT8FiQRA7Hggv8a8DMBIURNAH1hJP7dE1D9uNSBAHy2UP+941z360VBA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 226003bddbf28a3654382193ad2c6078
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pqzuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PDJ2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oUyDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7Is0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3V4yv7vyST/y6jQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALALRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "IjeKP0c7gr6cksy+JffrPXkeqb+Au2C/qihIP8hbQD+yl6U+z5EWQO3x9r442kW/KAqlv+JVlb8HZ6i+hQTwPtFNDsB6kMy/znUUv9EIgT9/2S0/WK3Rv35toT6n2yK+ZiI4QJJweT4tpc++9ORQvxLCnj+DbApAiT8xPajEkj+EKjRAqHVZv29zGUDW+5k/29nWvzUhSz/9v5K/Ewrgv06vYj/yXCVAKpH9v51h2b9DWXy/Vtanv2Lb1b8OuSU/eyAowDG03j62d5U+o/Y/vN9eRUAjuZo/aojnv2QSNkDSa3c/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 24530420b4fefe62262a564abe4dae7b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hiTaww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LLlKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PWRKvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HSAYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "rkexPp61W797FM4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "xUT0Pj7kp73njVQ+c2wkvzaqML7sY0O/L/C+v/P9Rz8kP1C/X6eEv1O4zT9cDaU+/RIWviiyWT+29KU//eb3PuSO+j/1WP8+waGGvh5pMz8YNhdAaDTfv64CFkAs3i4/TLqEvtaEs7/dtqC/swJAP8Rwyr/dDRG+bE6wP5GjhD83c1e+M2lUPwRQPECx5ko/t5tTv9CkB8Da/9e/H8XCPkRXJ8BTfmg/JwbhP2Jc4L8tyQe/3x4bv/vWGcB8nKo/Z4eOP6uBJsBgIdw/dEyyP/X7lT9r1Jy/0Um4PiLNZ8AvjvY+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ed4a661897b72a6a516655f2f03afde9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Z73sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9rVuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mIZhvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UFQ2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CTPdvhsqlj5Lk9I+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMALRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "+GuDPyM26L1OTDQ+7LnKPR6iAz9zwXY/rCShv0S9GD71hlw/gwsXP1Slor+nHiC/3MYPQM/Ucz5JwyY+sJsqQCMYrD9DvIA/hH38P2xvDEALEng/MfcXv4Hp3799Oyy/AW/Ov2e3hb89A1c86nGyP9Hp4r8wbpS/qqkuQBy1gz9whANAxBhqQGeA1j8oZzE/ty7+v5Ukyz4pgt2+QJIcwJNr1b8lqqI+pfmqv4T3iD9fvsC//Rvhv16dpz7KMOc/VxbxvjAVwj+qS52/vh9DwAbTGj8/Cam+DOuTvxSL8z7MkhPA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 32881d3b38fb80b77800f88fdc5abb4d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oOAExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cRyAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bAa4vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rDUkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AWoCv1FrYr/VynS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "8JvtPr6N+L11ody9Y0Fsv2+y/r6IxxG/9Tc6P/I0QD8AEFQ/RX0DwJraMD5Vdrc9cI7BP1ycOb9URjO/WlaDvx0qqr+YQbq/gRXlv2CGYj/i2Fs/67xSwGzX4z7HN0O/nH6zP8XOtL8ntra/LMpVwL5xIr9erIE+hrIIQImsST9JCG8/OFUuQKh9XL7tVc69fyZTwFdH1L/Py8u9Op9XQPSOmj46L1G/ivlNwHetGz6x0Oa/dtZzwEBGsD+IHBK/qcpTQCW4fb9gu80+QSV5wB6C877K7ZU/ix4yQHsKvD/Ks9c/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 856e8779414058212b27844e6aa855a7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/iYOxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RWRIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9pfdvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RrEsvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4V2CvytqgD5vu2A/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "fX3Qvgibpb08qY2+OF7Qvz5uDz8hCgm/9ycfwBHhuL7+KXy//Pjqv2Wty7/PJoW/jLAKv8TztL+g4Ry/WelgwIz0o77Ot6W/PIHjv3+a8j9mxMu+su3BPo58EsAVVgm/4MQ/PSttTMCjeVu/zcDdv6BMCUCUgQg/yE5eP1TzCD/kRCA9lLI7P4MRzz/Njp48ODPLP1L0jz57wT6/PYW1PxiOnD07DLI/vboxP3uQfD6m3AxAs7nLP67bgL869a8/79wsQHpHRT/w6OE/UJ5OQDnm0D8/RI0/G5NJQJmg3T7Lby5A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5191be1783b52518b6db4fcb5c252061
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KVjiww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4spJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5qzPvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RdUvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1lbsPad0MD8iT0K/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "91f4uvq/NL6sWUI+8ZxYv1Q6mb9bwf2+nJRHvbK4kD9NqLa+F/ZVP+0D3b71kJE/kll4v+lYFsC7Jq69OUlsP0Ad1L+wftg/0tS8v8fDQb/intC/+XKMvziscz1mhQXAHLR+v+4CwD9rwam+NwbvPjjPGsA22Jg/JrfqPy6S6b8ArwVA+ixoP2L/BkBi/yA+eDf0vyvFu78X0wzATa70P/Vh3D8WHg+9pkNUPybwDUBM0J8/AAA1P44RXUAMQgi/LSdSPzgcV0BH2c6/0cWUvvMOd0C7GKm+0+m3P9rZhUDE5S2+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e4c9e08f56cfd21e9bc3d494fa57eebf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "o90ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Awd0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "w56WvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "orcovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+vIUQCwrTT2A1J4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAgMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "AWokP/1Lj71K5IW+LWkQvVA9BT+erKG/4CQOviABZL+8Tyg/RyG8v2nBqj4lb7e/xj8FwFi0+r6dwwK/MFUJwAB9Uj9OaRPAHnsIQN0nTT0Eq729Qpe1v/+4ib8cGxA/Ir8EPwIcy7+7E9U/z3jmPmGbkj+hOADA2HuYP2sYhL9KcgtAyYEjQDCXdb9goJu7Vv8jQLBR9T57sYC/rUoDvuxNBMAIwxFAgP4lQAqqXT+GDYw/akzrP6/h0z8aOu0/3BxqQFAHST8eIKc/i4ZGP0PB5D81htY/B90QQGLZDUDPXCtA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 533ce16a9c28182513a894665230e98b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZcXsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HGBWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uVVQvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rkoivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "b/X8vo9wjr9Hcsk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABAMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "pbknPxj95zzm11C9aWCAvszKXj/q9iq/lszzvWybYr+IcS4/j63AvzCYCz8+t8G+ZuUFQF2y3z1yzgq+Day6v6/VAr9DHOI+Q9icPiVc8r+GasQ/PM0mQIs4Lb+HLew+mhUwQE4gbD8pTUO/iCxCPB6++j+MAcy/WdEswKd5kb+dlXw/zAmbP1GgEsA9WKo/r04ywEw6DMAZZDI/DX/Cvh14J8Cp79g/To4uwCdSjL9tNgVANeJkwBxmHL/wkxo/KR2JPwLUDEAcg8a/AlOCvma51D/HMyfAcSYYv691NECRTqe/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2ce39433bd0828cfeaaa3083696e6a1d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LNrqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AMpfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "euMkvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IpE2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CyQIvvZFKj+p2be/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ZcQPPzCThDxDGrY+LkoRvqE34b7xwrI/oDixv6iztjyR8sc/WHruv9rfZz8gxTU/mD0YPmT/aj9cYwu/kTCLv1t3sD9BnL6+9Sr5P6MJDr+Iu0w+5N7Fv1nxFEBdMp6/ASM4wIKooD+PhGI/EOuAv0DuHUAR3wTABC0iwApcIEANhaW/N2IeQBlQbjwY+BG/NjIfQMZZ3b7lZJI/2jf2P74IA8BcWSC+TSueP7ibEMDqWLe/nQrjP61S7b+zWQzASbmUPxIgUMC1wNC/tOCuP8oIJcBQ1B4/g2A9QC9BG8CPiwi+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 35f3a3179cb48f7f782dc46994890537
username: gastegger
key_value_pairs: {}
data:
  {"energy": "e9rqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pptEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gv1XvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RpwOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "URQgvyUGwb6JB+S+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADAMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "X8KQP+sTf74zVAE9MhWwPl6m6b7KjIq/MhvCPgWjlz516ZY/tYt+v1XRLr4v+pO//UQZQM/H+L7cuR8+vpwzQPi9W7/DbjK/nhvDv0LorT4Hl7C9W5Vhv0jmEz/ko44/5kQ2wJZIPD8GgOy9cy5sPzSBgb8OehLANmWQP35gBT+I5RxAHbFSwFQkPT9xM0o/b6muP7RY/7/VwQXAzUraPyS7tb584yvAbnjLP6ua0777KzJAgYL6PydQmz+DyhFAAPzpPtCDaT8ayk1A9ZL+Pfsgjr/iUEHAlYNZwFgVpj7ZhFq/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6546c753987e5a6d87ef9106734eb854
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7L3sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "F59yvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "s32ovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PmAevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Oq/Nv0Sji745tGg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "62GYP5uO2D0lL6g84Dz+Ph09GT/vY4y/aGZhv4HQBT/BQpm/TubBv99KBr1GSma+8FVOv/W7Eb8UfnI/VIdAwNFTzL0c+7e+uRJgwHlz3j6kCOs+w8LyPvBS/L4uhoU/JyXKvyQ4nL8UlwNAlvRjv+yaxb9LeTVAF85TwDI5sz6IG6e/gB9XwF9Ukb+JVam+j60cQN/BWz4PGZA9mOZIQCauWj9Fc4S/xesyQEk58T+X75i/9/A+QB0foz4Vf/2/IbCGQLWrXz9e0FG/IvMTwP4JB78Q8R5AiOsIwIWEBcDy3tc/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a0f8c1021231b856d861e87db9ee86c8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0cjPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IxIlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ezGUPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Upg3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SP5IP0cDGD60PP++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "1NSZP4atdb3kMPA9D1OWPofoHD8kw5E/BqR7v2nuCT+lcog/Xi1pP7fUnT/b2w1AIQXEvxDqkL3PL5K93q1Sv4GaYb7JEZu/tYYQP8K/JL2Z55m/1uOrv8KW5r5ceh/AwIolwFM1ob6N59O8h8NkvweynL/NBj7A+WXBP2pMwL9KQg0/a3znP1720z92LwJAW1IJQMOq+j6BJQc9c5wVP0PlBMD5TSA/ykIWwKc2EL8ejR/AVU1iP2uILj8/L+u/fFAKQFUP/r9LXDu+WNeUPoyi6T+vIjBA/y4AQLCKwb/bl8M/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1c024f8b8f2716ba30fa96c7210a3a95
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ly/aww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dF5zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Uu2zvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "y2cZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "C7VuP0lLNb8eFko/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "LnNIPyiYab4ZxDU+EyNjvptkC723OHO/iC+cv6exaz9iFuO+Cq4AwCr/AD9uL/A+30QFwEpeO795Go4/xbkywITwlz8T+U0/C8+Av85urL8cG70/PMO4PnCYar9Bk6I/q5aTv49EEMDsaARAkD0LQATHfT5NKkg+QM8uQA1luL1adoo/EpUsQCJpfT8JKjO/3aFqQB6Lmj/RW+2+Ia6JP+Zdlr+jHQNAzY0zvzLigb/GzYu/zj6TPt4h4T7bpBPA3zk2P+VCuD8RxQ/AhNEOv8GN6D4cCUDASYGGP0AzcL5e9yzA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 28170b5586f80bc2c9cffe82579581bd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "v90ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/aFpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jIG1vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "N+EOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "r3y2P5bneT9pVwm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "1e0RP0iVcz5TrSm9NcHdvi6Jir7GFHQ/0ODRPq+G9T54Kqy/h87ov597Jr+UkP8+fAETwNs+C79aLxq/wacivHSukr/t6rs/ypopwJdumr/kJsw/lhpTwMiv0b810BxAM4cPv/mlrz7R7+W/0KvIP7ljYj/svw3ABcwzQPSCND9KR7u/zvPgPzUR3z74Eh4/gaIrQKnDnD9gzv698CS2Pxl39T9aSiXA5vZmQFiyjT/13fe/BMUOv1FW7T7g0uE/4ePMP7hJdz7KjkbA9EAUQH80EUAcuLW99M9oQOw8lD9Uuss+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3c47b079768ac4dd7d3089f7e913e7ec
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ksPsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UidAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jQkxvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7+QTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hgMHQLCsFD65pdW7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFwMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "CRwvPwVEgDxGYg4+4d06vLkzdL5HUH2/DmZXPXfJkz6JpKk/1fcBQNqtab1r+kO9T94lQKFWlD66GDY/3nSov/aKmj5LLa8/urEpQOYdGL4w5K2/cJ1RP2tbEj+lmiVAqRq4P1rxvD+G3iBAKaUcQC+bOj+V//2/u161v+S5f76Zl3y/CnEAwPUoWD08apo+DPEDwB4hAb9QPAPAztNFwMg+hj1A+bE+T3O3v1NFL78iVTXAGfESQHRkhL+yyvG/AYu9P3Vqg75LxDdAhNjbPQOqOT/llllABrBuQEIkdL6aNpy/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3e6a7261be6c3330ace3d58f6d2365b0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PSG/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "B3tDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aeTzvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ev4kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gCulvyHqfj5TrvC9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "iU2KP8auRL1VknA9b46ePekOBT8I+3G/OAyev1Gd9by2Ot6+5H2IvxvvT78x1ig/8naVPueSwj06vPe/dwqqPrRzZ78HioQ/AUoVPsQ0A0CwZIa/V1sZwKUSaj78Bo+/ZRkbwKntiD/1/9W/ADcUQET+dT6QHxO8ckJlP4uXy7+GnAJAVHz4vbwxIUC/Lsm9/r77P3IIyb9WbA1AlBuVP+pPFkDa0Ka/Lq81QHaJXr5QBD4/ovFQwCNL/zx++CS/c7KdPv5rDMBEPS5Am6Puv5MOqb+/BZg/wx4Gv+v2G0AkpOm/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 695e2e323813023ffa2d330c0809b0d3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "parRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8OBnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dZCXvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "thgcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "11HVu97IvL5uhte/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGgMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "/PFPP1ChLr4AsV29YYgUvfKh0j7kNog/SDb7PY/4Yr9efZK/S9q6v0qcTD9OiTQ/t5kSPTcjFcDk1Ym/Gz4Vv+AWKMBb1GW++vHYPumEFz9qwQpA69OuP3L9Uj8bY4+/YXvQP4+nPr/FjNE+DuWCP744NMCJini/1SmBP5EJir7QtwnAKn5AP95M3D+VQJy/0lLgvvK3LcDSF/6/9FEaQJAHjj8FRoK/+LzcvwrcMT97pbO+S/MDP1NS+TxuL0XAAXjwP9EcZr9tjhnAAioQwNk0mD/YLs8/VdhKwP2vtD9wZpw/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 82f5bcd22b93d9576f33326cb78695ee
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fETkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Q41ivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CACOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "P40bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3ZgWP2RdXL3QJ/K7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "JUMcP3aWkj3O76U9SbZYv0YRWb40yMM+C6C9PxTpaT0FN20/Yhh+P+q4qj7Cz7K/udiPvxnDhL8Yjpm+QJBNPkUiPT7o4hPA8jrdv9xHgD89UFo8zyMSQJryNT8mgMO/Rc03QGBZOT9TrjW/kxeAv+Z1EL8x+uM/wP0qQMVZWT+nehzA9e3VvwadnD9LvIa/SwDcvRLXWb8OfgpA20y2v6si8D8vVRg/vugCwNefxL+oagNAlwsxwGGpRj9QW4k+Sxz4vwH7HsBcgr8/vbFBwGEyj7+/x+Y/QJADwP5e4r+Cw0dA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 22725c20677fb233383da5556bb22757
username: gastegger
key_value_pairs: {}
data:
  {"energy": "s8bsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/FFUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "n67uvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KHw2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AU2Ev68I/r4E/9s+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJAMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ZJMtPxAPRT5Umza+AB0hv5iAlb7gUtk9IvG5PzVY/r51gWa/25SBP24I47+RXri/9EG8v5LR2z4lSWA/kk6cv2oEyT+e07Y/pG0MPTBWBUCntpY/62wrwJ8YNb6fZX4/1QEwwGBkk79njkE/mjrXPdky0r8uGwPAtHJ4P1veuz8G6Nc+LQNyPgjRQkDo+dE/hWz5P8XV8T/lkHY+eCk6P+k7HcDmTiC/z4kHQPS1GcCsHBLAyPEYQFIa379FLUfA7DBTwNkPRT6Nutg/W/BAQCJFJMDZBde/NeHlPws6V8DkgyzA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6ea76a3b084e55d748331db38817dc43
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uMPsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mtBEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rz4evQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7kAdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HhbqPajGyz0UImC7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "qxS7PsRodb762yc9DD2Mv995rDvtxY+9BMbwvw2mjr/iQ0e9w9Gpv0JOF8AtxIs9P1heP3hduL8Frxo+uhHOv/IKlT/bIze++mzgOTOTIMAkiCc+fxWePxZVTT8IEAc9dRwowF5QjD/bIHa+d5gEwJZOScBMLJE990QMQFUG+j7KRug9cR+DP6x/D0Cn0q69kSwAP31MHkAMDoK/2tThPqqlX8DgxII+yBHDPstBJkCNDjk/BRwYQBuUPEB2Ly69PmBBQMiIJ0BpM12/hV85QLYEMECyn2Y/+mUPQIHYgEBVrQi+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 27167fea13988845f649afabbabc4678
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NnfJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HTtIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "FTyFvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mpM3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FZEBvz7LK7/bxMk8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "H85BP3crazyiit69k9rovnA9lb4N1U0/Tfa6vzFTYL/cCQS+FEeFv50FS78zLrS/0YETv0Ezoz/nkZc/+zYcwHlPnr8u7Cs+rL0JP2GglL8AB9E/3x+SPpLUtz/HcYO95pqVPquWgL1vCcq/aqfRv+eejL/OxRDACMbWP4PqML/B1Ec/9tKvvTuWuD9KzK+/kFtmv9Sj/D/98O2/X4UOQG5Etr+ESbI+NmxtP9nMzL6ZnxnA/cwmP6KOZL9XCSxAu0vJvxgu3D9Q55Q/Z9G2vf7DvT+y8QhAIKWlPgbmDsCevcc/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d10f6cd8b31e83c5965104bdc1ffb813
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oK3uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yNNCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "M08uvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+z8Xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LEiTPkVHzj8xsem+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "L/g/P2RzRL35R1G9RX8svudDIT/ACYW/8u9Hvuq3hL/L0Sc/oSDFvySmbr/mghc6NWq2v2c16T1RGX+/Ivv4PUvM3r83F8s/jaAkwH152r8G8rw+ThIcwAXWG8DDg5Q/sujDP6+mHb8lQhO/KsitPvNwyz+FJu+/ukK5P/LgYD8XuHA/qcA0P67TwT9cAbk/fYaXP8LLAkBQb8a/VDaevh/DCkAmNxjAfBNjwO1H0b84m8e9xJ8PwJYr3z6sc9C/Xln5P+auiD7Yt9k/BrEYQOoF1j8xSlc+Hb0yQDFLE0AuGFA/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c9903b5b7782baf07a30f23033863cc0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mbcaxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xy+Evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Rx3dvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6tAZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IxWaP0ymij3Chme+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "rleWPsDGIb4hLY08He1dv3i7Mj65uSo/YVdGPnkzhr8tI4a/TMwBwIHHQD1jlOU9IwBpv6QNm78FVM2/V6Brv6FLJT+ucQZAEesBwCTUyr5AFZq/zJ4+wFWbC77hcADAl1kywCwOFr+83znAMtDUP68+xbzMBQg/IwHUPxaNOj9mTKg/WM+aPDfgVD8dJjVATXj8v1+2Tj9QshlAEZb+P7oOeL8li3k/x+0nQKckzT4jqRO/hHsOQNPlpT/QLIq/aaQtQPRryb4a4Km/PLl2QBLCKD/JGpM9A1WRQICCQD8YKxi/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3980d438c27a8ad78a15b061d7d2a5e9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hJsAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rW1qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OXvnvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IWDtvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7/5YvpXx7z2u9WU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "x4JQP8a6nj4H1kY9JyA/vZzqxj8zyYG9fE6xPT2/Zb/3WhC/lE2AP0EQ3z0mVI4/9YWhv1QP3j+F7Fg/61x5vriYJL8ao8m/an5UPt69G0ALYly/6DeBv/3P1L9mxmI+/+VcPxMxD8BuqBC/MsLOP0hZEcBa2nA+zPG/v+nmgj9B8uQ/i30CQPCEBT+uSBy/xxXwvz6NJ0DHgRM/6mDRvoq6O8BFh4C+qZz1PwlFpj8qkZa/hJ9uvyPkvr9VvaY/DfmqPxy+IsCjPcC/bj0DwNg6wb+j0qG9gJ+tvo1LasD6dec+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 34fce5467736e995b2ef5a215b797708
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hCcOxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lgd5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/rbnvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FywFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "S8iHvqNYPj9hGpY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "NReYPvb7iT0YHNs9C/52v6nMYT8YN0A+7dEBwKHx/T50xoa+wj6aPmdelL/wuPe+sUNwvz9aEEAtqVs/GHU1vzi48r9WO4y/hWOcPwpBzr9oTfK+qYDXv+/atb/e942/2jHNvsNDQsBLMcm/DTGcv8k2XsCRr/6/g7kVv1bWCEBRWPI/xbS5P7/CFj+nNiU/DcBNvuq0OEBog60+ad4MwHwQNkDLQlQ/FCy2P58jyD9r+40/BJQuQHWct73wfSI//REywIJyDUC6zMI+6807QHWKmb/xJho+09tjQFMD7j608o0/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4a0921bd4fb44fc84cd891eec212073a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5JsAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dqmBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HeS1vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3mAovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xT0WPqgYZ76X/yi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQMRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ZxT9Pt00AD7hMOg7P1FIv0zmrT546kE/z5aCP2PZrT+RZy+/iw3UP5e8XD+f4AY/L8ysPxFgtD/ydqo/MSrDPo/wDkDOlBK/E9w5P9Rco78QngG/CYVnv57Xlz95ic8/aXzlPw5Spz/bc/2/4/rYPauNur9lIbK/hF4CwCR97b7dR80+Jh8dQJrQ4T5qLwHAwKOOP0/woj+ZnTXAXA7kPzFxsr9/Nka/yVy7PmwzCsCGiQ4/0kBgPo1SQsBb20I+fCURwDcGZr87sjK/e1EaQPoeDUB88ATAc7UwwGxKA78Dr54/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7a31ffa6309815901cf62ccc3f4a8c97
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dMTsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "V0BRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0T7WvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fXg2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VTBKv5J5JD7goSg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "kuuLP1WU4L48vi++hIRAPmZnBL/scq6/hJlcP0XJjj7bX3E/YOmVv+Zqqb4dKZ2/RWElP9R6Sr982h3AsJL8vwR2eL6zPqm9PGvSvyrfAr8LmwbAveLQv4opuz4xk4Y/v/CuvpE6kj+sL54/3fcPQEssmL+mfcS+V5e3viaF/j8T5Ac/8hY8wPOPOb97oEe+PEwzvkYC3j8teSRAUSFEQBpNXb8oUes9KFUUwLT0oz6gE/I/tBAbQG22qb9jpK+/G0nRPx+tnD4Mito/nDBpvvZXgD+2mVFAG9dxv4KWF0Bm2TBA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 119b936bc3227e0b175f8c3c3f48fed6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6CO/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PPo/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "m6vmvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ySQjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "s80NvUjELD+FthS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "sS4KP8ZLID3xbiu+MkbsvuC9TL+x+b0+Hsnlv5ZZCb9GgAm+tZeEPj1Vgz/TRIi/f29/vwDWoj8FnMK/xx3IvepK2L8s+Z0/JGIDwFkw5z5NtYO/Jx5ov1HjDsDMh8M/5DCWv54FBEAXGw/AMNb1P3CrJL6It5M+zeeOP8PnzD+QX7K/91VEwBcqHj/aGLC/9rMlwDGilb/ukHw+v9gEQDZknr9Gdb8+qRYlQN6Yaj7w4/u+HQINQK1QAz8CwNA/n2/HP7xLuj23xBlA9kcCQMzgyz9llck/vatPQGgJsD6qpvU/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b5ba021ee0a14abb4cb0aa08495383af
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yFT/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ED1pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "H/K2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AMQNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QSvgPvp+Kr7ItbG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFANRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "0UjfPnrVl758aBY+Ee5Yv8APZb8p4fE+R78TPyKGTz97hyO/Kt2avjUFrT/13Ka/rKz0P3kfyj+OXC+/uoTuvxLgFr/KKL++dN0uQJZ30j8zxUM+fTzNP3ANbr8QIUY/clH6P9IKDEAj+s2/MdXbv1iDRj75a36/klBNwCVdhL8rLIq90t26P7avAMCnAEA/rV9jwEN5Kb/Simc/2SWDvwDo178AMbs/831CvuiI67+L3gBAITFQwLYJCMCZPwq9rA54wKMHLL9Hz1m/T5HeP87oGb9sWuc/XjwgQEtDL79J4WE+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3640027038e9642802afde79bbcdee8e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vP7Aww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GNBbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4uT+vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fPM7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pFMnv1vOJb2Nl669", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGgNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "xoSRP05AVT2AFOK9UMyHvTtRXb+MpgA+FVyNvzkCtr4D4nC/m3ryvnCt7L4e8ss/nyeTvsFGhj8Vu7w/D9rAv2CROr+no+w/dg+DPs3fDsD7kwu9JYwZv6aeej813cq/aGVAP0AHpD9gUG2/UAooPyM8pD8Thw0/50/AP/436z98pb2/tlGUvy7ukL8QnNq/lvwGv4psMMDWYCc+oCAKQLNWmr4H1MG88SF/vz1Z4j9Lpu8/EnGov7KS5T8Ugbm/gE/pvpOtWz9RfSrA6p89Pq27dL+zaRRAPNUGwNZIfr4IbQS/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d29e80431a22f7db510b29e2869c5830
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0r/sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eo09vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AwZJvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+UsLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "h4oTwP1NlL/NWDS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGwNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "kZh/PyFAeTx0yyq+DXnBPmrAaD9d4g0/dPFsv+62Oz/ov0g/GrCpPth+kr+BXDm/19McQFcdQj6nO72+esE5QO6PI7+LGne/rZ/lv5phCr5J0kK7SxfLv1q+5j9u8b8/7XxIQEdZjT8jkQY9xjdVv45gF0AZCQNAY62Av7H5oL+7ex+/tyFtPzQM9b9LRZq/dV8VwE723z7f3Um/UY0kwFinCr/WHCk/Eu/hv0ykFcC6y4O/9Zinv5tyP8A8ONO/R5YtwDyECMCSY6i/LncHwCnRHkCdSVA/kG4UwNqvsT/Z2QxA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 31fc16a6ef432e939d5272afefc51d10
username: gastegger
key_value_pairs: {}
data:
  {"energy": "m63uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Jqdmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AAPBvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "piUGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dQKSvz+pPj8vhgI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHANRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "55hkP/EcW74c4OM8wGdHvVGVKD/Kk0M/IBwQPcwte78NXYG/eHqxv4VVyb7ozXG/k6Gkv3zqBj8Mf3s+qyEewEN7rr9ie1K/cIvKPlPFwT8gWfQ/0xQLwLVqgj/7LCI/XaQSwOHy/b88che9x50FQLWhp75/qzo+g5J6PztJZD/1QSZAoQvLPmYW9L/o/de/wCcfwJ4N+r+YHtO/oFOiPy2kLECpKLo/ClH1vqg18D8MUh1AXInIvz+FQj7p2u2/E2EKQHzDFUCTYXA/f3c3P8ChVkByX0Y/1+PKPxGeUkDmNxRA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3af2a2b6eb6edf6c37187abfb9ef55aa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ppfTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vXJ9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lx3CvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8mMcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yAelP/LNhj4/OkW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "PlOBP4kVob2xp2u80i2RvfkkTb7wB4U/nZCSv1tNOL+vm10/i1YJP4Krx77i1bi/CNuWPjq2uz5S6BtARVGZvphhPj/ypP2/HMS6PzE5bD8KXEc9M3/oPyc+RL9j2ZI+M4S5vcCSpL+1JrK/qSSoPzLdTj8gWCFA5VF/Ppm+1D99nQzAmOXNvyIqMz+7/AzAxT8MwGFtQr7Ucv6/9n0JwCP+xj9EISbAkeTdP+JlK7/2bBfAG/AUQK2hwb+e3P+/P7PtvvGfqz4PWldARUYZQBE+Tj6VxRvAdWyyPzFqaL+TJFjA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a79189f137f8d78216a8d084d96d0c90
username: gastegger
key_value_pairs: {}
data:
  {"energy": "T4zJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zzEwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zuEavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XHkJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iQxDP3GPpTwGTOC8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJANRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "aqtVP1f0Tr2nGx6+YH80vvEtlD4THFk/r9YsP7TFJb63QL+/rs4Wvw1Unj73CwrAM78CQMggR75l7ws/eTnuP5c9iT4c2Os/X+W+P6ErCb/0xwbAav3DvyuUxT3UjTY/ROMKwPMaB790Ps++5Hw7QIPu8r09Gps921Pcv6nZD79IMde/G44OP9xKDz8VawRAVBJKv3zzrT8rvvK/CLIIwGTTej4VXM0/FwctQHZuoj7NFiFAkY/5Pa1sVz9C/kBAgkFFwB2sib9VDjO+gXf7vpzggz7nkk/AAhQNwJQSnL/8eRnA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bfa614d8b22a78b9db82512474509eb1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "p9fqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Eahevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ic2YvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gEESvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ArwlP+C597op0Oc9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "LRqPP5KXFj1C8ze+LJnFPryidb+SdXo+GLRvv6LGVr+CUTs+zpXOv2L+lz6+vp2+PqPcv2in+78DUCk/rHuDv6k7L8DTkns/2ZpQv8W5qz/kAke/FLDvPo5imj+JGjS/CPWJP6oDAkBxpom/gmkXwMXc0r9FNL4/WiM5wIEKlD73lZa++GVOwHPGlT+2lS6/xJ0nQCCKlb2otYW9htwXwG8XFcDWAQ6+hWQ3QL2Cj7+7vvo9BHxFQD3hTz4+N4K/oOVOQLjYPz+WM3w/OBgyQH6YDz/+LvA/lcNFQCFi3j+r+Es/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 674ac334a27607e0af03950e4d832ed2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/L/sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ISFqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9bpFvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZLI4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cy61vv0TAsDYu4e/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALANRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "xJsIP8BKSj41pS8/5uguvxY3eT8JoVQ+4YPTvxFeGb09AK2+9LGDv9Z8sb+Hxaa9P0dgPnlHlL+9lxk/2xDNP7U1QT+GPIs/FX6Vv7gAZb++u8C/NOTOv/znDsBacIM+AXMtwL7/Kz4f+He+Hi7kuQM58r5GUA7ALSNavz9tCkA8q5E+xkosQIvM672mSb4/RbNHQFFJJr9jph8/x23+v7m3rb+ZwwPA6Fg5vlFruD5FcjHA6TB6P6Hl5b/8fs4+Ne+mPhoHmb/txDbAzoNfQEjC9D4Qevc/XwUYQCwKYL8B7g1A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b6f6591819aba4e5befa9f5c484a3286
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FrDRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BTUsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Bi96vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FZIcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bsAPv4syg7+9jEK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "SQqNPy3vV775GGE+9H8EP7mdVD/8ezA/VAxavziZcz/QbAY/hpjOvyTG5b1fFU0+Rn21Ps7Xnb9ZXSO/A/ojQIuz3L6+0PI+HustQM9DrL+gm4c/s9anv68eDUCOFFU/FdY+QBCg1D4LVoI/4RsRwCbyDUBeWTk/iOR6v61Cq79/OW29NKnIv143AsAJQvu+XzJHQMC5EL/ZLu6+YJ8swNJ1273CPGk+yu9WP61xDcCtXwm/Q1jAPjSpUr/6EwjAIxzuvQUuEj4eARHAFYazP0NgPr/ZuR/ASEoUvrDZyL9JFy/A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d8006e15878cddf466997dff01b24716
username: gastegger
key_value_pairs: {}
data:
  {"energy": "isXsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gv5Cvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "s31IvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Fd8Qvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "utpqPtjT/j5IG88/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALgNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "cLFQP4sZ2r69VBG+tdYYvrQjtr5bGJe/X/B4PgYcQ71/y4Q/FQKav5F8pD5c20g/xwxCP0N+d73vXBNAOKKqvyg9QT4ZYT2/coEYwMF+Cz/WYq+/sr/rv34e5L70Jp8/NBoKQKCzVb9nBuC+uvfRvxRV2T9TFqY/wpoSwMxcxz7AABjA9mk2QMGfXr/K6dw+DAsjQNm4jr/q+se/5tQNPnCZ1L6BOgnAs7LgP0DrHL6hcBpABvh4v7ziHkBDpW4/dfuoPmzYDj8sUD5A1JvUv8pL3j+4DBlAHkcpwLoo9D/IH20/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 857a49a9420c021ff47b2075b37d56bd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gprTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nu1xvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "REypvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fEcdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WvBCvn6M+T2vJSQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMANRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "4XQlPyuxHb439Jg+Bf8IvhFevb9hRbU9AlGVPniqfz8uBiK/ZpS8P1mAs714HJc/+Mo9v+Jg1b+SC3G/uv1vv4sp1D/LjCC97r09vzHSE0CnkU8/l88LwHAavD/YbOu+o8ccvb/1HsDolpo/x7D9vmNFBMCgIwdA3E6BPMPeDz/2UMy/GziBP+f9KsAQULo/gMS6P902/T/hnUe/Pn8Lv57xWcBRZmw//uThP+ZaF0BCMkg++VMawIDETj9UDKW/XuoUQM9hvj/xO52/CNmVP9NpNECTKrW/znhBwDkG/D+5QVc8", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bec14a6e11a22801fbabbe6debf493e6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eMfsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "B+5gvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MpMovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Osk2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KT/5P4FDML8mAeo9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DMxMP4YVpD7q+5W+IPiIPcnUsj/MUZy+Vp6fv7yAoj+ib+29ZI/9vwbUuj33Ktc9gzPjv8VrCEB82w2+u0xVPhpbfb/LW7C9SWSSv1ogir+KYOE9GjOCPxygBsBLKx++ACcSQLuXAj8uSfq+elDRv+IKAsDGJYo+9T5MwFNLFj5zHok+OaQqQM4Jfr5XZpe/F5n/P9Sm/r/Tfi49eekgPxXsPcCnGUE+nEIbQA45vT+DOHm/PmRFQMVL9T6vdVM/O2AwQEhCpD/Jo74/YEU9QHIC7b7hW68/DOKEQEcZHD/nFCI/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c685a1b0f4cca446f1a60ba8de8e1008
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WcTsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gVlRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rkk3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Focjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kdDGvhA7h79LWWa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "9DVJP0te/Lwlegg+WQ29vr8/IL+V/oq+dafGv5b4UD09DiS++lrAv4xerj8sysA+DYDUvljy+z+DgkA/BMdLP3rxpj/T8SI/0b0ewH7w174iseG+7JgbwMUT9j8Odfs+tdAFQGOXL79m3LI9SSChvuu6AcAvylq/hxj4P3G85T+2e3M/lN7kP+FRL0DqWqY/Sn3+P9lK3b/4G06+9GfLu58wL8AEeqO9psEvQJgTJ77GHR2/e1bmPggtBMAwZtK//KTHv9LwHsBF86m/d6ojQH8THb/iH4k/Ypvlv3a1/L9SGwfA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 594ec40197feccfbb98cd091ed5a736e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iaUexA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fSB5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ILZ0vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9fI7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "s7V+PsKjhb/D0wM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOANRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAkAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "cDViPiDATD1sHKg+QkTCvq/DND+VAy6/BVL6vkHH776G+K0/WRnzv6i4kr5FPqs/tYjkvzB3aT8l3kK/GHgiwGqsvD7xA64+aRxnwJUfAD8uZqo+QC8MwAXAwD+Dd9y/4qwlwK10S79ztRZAO1XaP3FbzrzXzSo+MEYHQGvKfT8VEBg++cwvvHfmfr/K+QpACB0JQLDSBb94c4Q/iuUHQHXTPr+ziI+/U3fXP8vqhr5tOgDANGbgP4nR47/gUpK/hbJnQC4qSr+6xqe/8GeNQCrxob4Nngq/CAB9QDsap79DQA/A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d4b11b3d56b45cd9c8a722beb623e086
username: gastegger
key_value_pairs: {}
data:
  {"energy": "17XRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BmZFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4lxDvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ODA5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aHlevrU35D/L80A+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "jas4P5nFJ76X5RK/3rUQPXS4cz8Acl6+/A2bv4UnJT81lxQ/Qf/aPplyD0B4I/G+kgQLupIwrb8ZOiK++oqkvxUyZr8VOAo/35SJP1yAFkCpyJ6/9jeTvpfvPEDOMuG+/AuVv/0InD8pZABAVO0EwG/oij9k9IQ96tcJwPcsob+I9p+8Y4ixPglhIMA2kbe+efqrv/sqrL9+vsQ/z1mpvkCNSD8KMSRAv8P0P+iVXr7/R6m/cvIIQKujmL8g+L+/kbIsQE5RUj7B41a/lRqEv8iGE0BnFgBADNMFwMLKfj/itiJA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6d835d03eb177412dc4de92550cca291
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WpwAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "n3aAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xm6/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2zUhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "o8zmvnqqQ77XEvI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "K7BrP/PYCbtw9n2+zg4Zv/H6Ur6BdEK9NSC2PwMPiz9plSq9uz3aPx01l782UTG/Hd+SP+VQAMCYTY+/6pmMv1vmo78snZq+asSuvz+2ez/Ye+4+4CBqv9fGpz9Rh7Q/bEaav+mI6T9Qe2C+NstCQOptbb/vwp+/vAQ9QJ4DvL+4vsM9bEQ2wJyRMz8qXSQ/8pNKQCIQUb8uKnA/Fp9NQDyanj3TEJi/kx8/wNp6DL7QZ6s/QSxSwBnjyD7vA6O+YyxcwCmB8j/loZA/emxQQDFPIMBsblY+GzuMwFHJ3j/1iZ8/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a035c745538099e7790cc20a9afd0806
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O6juww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "obppvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WI5QvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "C5c1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aOifO8gHLT/j38c/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APANRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "GjofPxrZtT0vSxc9qzukvv/NZz+pmVU/vE9hvi0+hb8BWA2/EWA1PlrWtT//2+2+I8QEQMV2B76hxLY+LKMOQDfBmb8WDQ0/UkwWQM5v2D5FXqI/C6jXvxjmlD6I7i0/KinPv+7KRr/5awu+GlY2QFClnj4EB0C/27wcwIRFsb8W1PC+TVFzP1aCBEDhNaC+qPY4wET5Yj+XNak/NjNCwOpa9T/wnHk/Uv5SPn9O/78nFZW/LvvxvBb4sj9WzuA/4CgxwFrzbz9jRBpA9dJywJjXoT7J/4w/G05tQICD9r1+0Ta/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 18ebe8750e2604fa375583ac2b80ea07
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Z6Puww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Sl79vQ==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "n1e8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Vg0CvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "i3F+vt4fjz4tsj0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "qj43Pw1wjj4fPsa+UvQgv7YX5j54bcy+JCTAP3Bqaj9rc74+d0GCP1PbO79fFLy/gGVsPj2rSr969Q/AlDeSv5ABmD8C+iI/oyYGv01DAkAEJWY/gCY8QFKNOT8kprY+IGQBwIMLJD+kMbs/VWwfwLbnO797YJ4/Z0UBQB5fs7/Yo8G/6IYRwIZDmj+ivhZABAQkwMgAmb96i9I7HbEtwD9prb9pkQZA0hVVQB0ghT4ZcA2/kDYnwDsHEMB9h4C+Y5ZOQMuwvj14I5o/zJNaQKZr2T8MmAE/QBoywPK+A78fm0u/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9e226f1740fb3a0288e0b6149ded731d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2cbsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ISIlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WmUmvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "y7savg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0PK8PloSoD7Ows4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgNRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "o9CnPxd5yD751mq+IE4iPy1naj92IVM/ov83vyUpCD+tfok/Dj4jPwEqCb+ZxIK/9xcuQAtPNz/pshu/Q0CjP+Tr5j/CZdQ/ledGQO75vz8FpCo9XGcpv70Keb/cBV2/KCGvv9Nst77li4g+r6ArwK20Pb9T3cY+F9Gjv/r87L8XFMu/ek2ev0bZdj+OpfY/OoM5wBKrx794cyu+MD1YQA80Ib7hNwS/JggdP/YiE0B9nglAi0cyQHqhiD+tqNK/A6Yxv5BMDsCSTRXAxJ6TP/F2cb/VuuS/vpRGwPIYMr+UnKY/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 898050c589b675b1a2129cb110086ad3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zzTaww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ebEwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8nwGvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PBIPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "78mzvtrJID52iYq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "NfGjP1Y4TD71l3++t0W2PguDW7/oj1c+j/mLvx83Lb9MxXQ+79dvP/Ff/b9bGQg/5/zpvzjf9T4gAM09BP/kv2+V7r/N+gQ/7sq3v5bw5z+oFgO+F+M5wDJ4rT6Y4EI+0cm3v87oKsAx7JI8ba2CP6vTxD/aOfa+/QcjQP/ijL73cdW++HMwvrtzEUAD68m+3MGUve+kVUCv2xS/u4sywFtU5L+mC9A+BdEsQPAOmb8TELG836SOPvsrKcCo7m0/KBLzP4y0B0DsA0G/KkYPwB67IkDX8we+WxhUQMzYvT47bvm+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e8aebd17ee16ac9a15ce243179720a44
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rgnBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QZxHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YTPAvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1ZUvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "i2ynPo20hL4Jp8W9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAgORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "uq+PPzuxHb5Rb0c+kztQPsMaVT9W914/S8xYP6KqU7+gK3O/jXXXvgzeZb83Mc+/5DvVP8NEsL+xwLS/0rTTvxYKNr8WuIm/N3r2v0iJ4L5ch58+pqiMv2LUDz72SJo/fJkxP2ZujT+/nec/SuYgwMgyZr8/M9u/sSk5wBZeR79YJy0/+lzDvhRwnL8w+inAQ38UQDgVhL66N1U/Lbs1QLz7db+OS9k+gBuzv5KNIT5D+A9AWytFPGeRB0D2ejQ9V8rwvllx8z85Imm/pBt6PyITJkDVxRy+0QMev7LQNEAhtRc/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4b388528bf838f7a5a4b47c5e26cb22b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "c63Rww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eZBOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LxWbvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0y07vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kQozPyYBmr6P5HK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "LbCAP7Gtij048Am+CAZbPUBojb9hJLY97o5+v7+Ugb/Yv1E/HOK0PmtDG8DVkhC/oO/DPp0lFcD2PNS/vR2qP6CGNMDUVYW+gd6wPjfIlj93nHi/Pr7YvnQgScDtxJi+VQgTQJdiZb6erUG/B5exvxwYUj7e6q4/32ZDv5Ut6j9nFrS+Vd2kv1vvtz8d0FQ/4sfhv1yVEUBUdao/r+2aP3zDAT+i11k/9ZcLQIbbOb99xNC/p0GMP2KJ+T+tS5a/1UL4v/6nBD7qFBNAXzU3QHkxUL8Ucx++QrsoPB9URj8cr/e/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d9edd9ea4a7025a1f314e4cad40edb86
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RArBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cedSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6GnAvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NNo6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hlUsP8bcFb+wIE08", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABwORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DLcSPworq72u0a+95TfQvidu/z1Na5u/JSW+v+HMYL/fJmy/Q1NIv7f8kz+IMZu/CYiYvw+pxr9KdFQ+cFi8PSdahr9Xhjg/dX4XwIplgb88psS/k6z+v8RIKMDyTF8/uzISP/Zrtb9loc8/BQhqPQSN8byFuwzAq7LsP/BXLD8GxZI9aPQQwPEwFsAYkfI/7qgaQArqoj6zLnE/1Em1v4vnY8DVZ3I/mz3dP3GmC0DdNlE+elc3P1a0NEBq4Ko9LMkhQOYMBD9bxEi/wb0sQAPjK0CyuNY+uC06wLXkNcD906Q+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a52382f6bbe32ba5930e2f61efb3a334
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CsPwww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BHBDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6dbrvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "J/Ulvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kZtBPtXPAz9Gtq+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACAORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAkAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "U19vP4T/oz3IAV4+QvfmPUfv8r4NzJk/rO2bv+T5Q78+3jI/s38XP8yBKb8kNhhAjigWPxwasD71k4q/tMDvP+F1jz4YNgk/ODv4vTZLib/uiz5AjfvMvyJxBr/p+xK/eb8DwBjipr9yBMw/T8Usv5MBRT0hFMC/10l4v1qEfT5hXCHASGTSP8A8eT8JLvm/eignwFXHRb/8QmG/GRX5P4TZG0BePcm/qCgkQMfNwj5izvC/5vqnPw5+az/kIT/AU9gSQOl+IUDaBwq/jHuGP7lyQ0BNX9a/bUYuQA0cNkAnPA7A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5a661f6e56ebf7e142222425068037e1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qzDaww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Meoqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9x+ZvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MsYXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "P+Nqv5zhNj9mgww/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADAORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Kkg5PxxfmL4+ZxO/iZnyvuzmQL9r0IK9VbmNP3wjgT+QVyS/Ehurv/elND71qfI+73CmPqm37T9YiLm9gfsEv8VJB8C/GX6+mJV0vx2LyD814yg/8F00P7gUH8Bj+We/hFZOv/YB+T9YbwlArV8iP3RoOUA6iB++t/LdvxLNDUAP4Gs+S/25P/FNrr/toIy/tDB9Py4sX8BLQJi/wqypv682McBzMTA9GiQbQBOFl79qcMO/h2fZvCu7qz+hmidA2Z/fv0Nr4j9hTStA+egLvz02QECWlRBAF84SwB5Xt70U+R0/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 652dccf7d4a1e3b77c9ca94df748332f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VKUBxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5pJavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zNM5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8x0svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Osw3PoWxXb+cFhS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAkAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "OfcGP7lzdL79vV4+SXQJva00Wj/lxRg/KpO0vym2Xz99Zhc/PtQJwG42eb4Dhhc/ptyuvvTlrL9k0a++vzD7vxEiBUDdGTw/A5ABQISR1L6wjpg+axLGvzA4ur/lttI+kWdNwHk1lr7J1lE/rDUQQHsfnL9wFYE/8bQcQPWIAj++BjM/daQrQMwhPL9chHe/2sEaQAMQ1L+WxaW/29ogQNyqhj63FwHAZfa7Pyty8j5mHRPA+SkXvx1ikb807LK/xFg9QD6Lmj8oHti/uRJDQA0mhL1DYDrAs2gPPjQKFcC/8pO+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bb034918cec08152d3aeaf1bb83429b3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PjDaww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "f4ZXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fuRWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YM0hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wkxbvfypCb/WqAc8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "AMsJPx/CXb6jz1Y+FyYEv1drKT8OKDk/IDbdvzK9grsWmnE/2BsBwJ0Fp7/keEM/YBGGvz/+AsD6yaQ+wj0gwBxxCT8uH6Y/5IiDPvP6w7+ZpgQ9sT6kv7EVRsANjTY+Ewmgvu+a9D9OcXI/DkLwP7ueyT6+Yq+9+ZGCP9hiDcBv/qu+i0kEQD7Ulj+bhSc/+zMqQP1Ju77lwyg9yeAAQIN1gD8FN7u/NJGSv5wbGEC/06c/eMSUP7//Yz8Dbh7Ap0NzPqt8qD7ATBnA20M7QMhlyj9/wsy/ugmuP3C7rj9HhVvA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9df4f17e31f73452a533ffdc52aebf67
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2MLsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7QxDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LjqZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rN/svQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ysMSwLxcJL5mSQC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "OvAsP4IrcL6Fcfm+0ycbvycHbD7nWqU9u92XPlw3hb+bReC/UyfnP7ScWb0lqbu9lKSKv/Yfeb/9y+i/GOvKv6xfcL6QTDy/eMg2v42bij+Xh5Y/WI3Sv1HyrL9n2CPAV5HWvwjmqD9+abE/ssYpwJqrrb0jTCa/3pOSP1sIzr/gayDATqExP9saBsDPUVLA8K1MPeUuRj+uCxlAM6qLPzj8Ij+LFQZALr2RvrHNLb5GkTZATvGWvcRG9T9tGFlATauVPvdxNkAOYT1AnsyOv15jBEDknGxALTEBP7+e2T9KaolA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 23057b3311f640d89f5965511d472177
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VeYDxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Yp1qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XthavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Suczvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "n3EZPwLx4r/NHkC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEgORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "wjwYOyg8Fj6zX1y+EjVVv4U2hj+dIpk+ATYJwDRzfD9NA9U9cHwBvxJfZr+Qkn6/N8cqwCe+rTwZ7x6/E2bwv6CCaL8Oe5W/bmCyPll0578WYsG/IjYYwP1V1r+H7eC/btYJvg2OHcBT/wHA5lu9P/52mD6IflI9JSQAQD4peD5oZmm/vw/vP3vtuT+gZmE/ldaPP6XYCEDtCHg/4jsCQOa/KL9koJM/LAyzP7Fzv79Ow7g/bm4CQGhmFT8wvgRAaceXP5t9GT/j7DBAxvdBQC8DhL9An2k/TPw8QO65Rz93/ShA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 76ad66587182d514bb58f8587f085368
username: gastegger
key_value_pairs: {}
data:
  {"energy": "u6Tuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lXx8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xY7GvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MjUZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mrHIPlfsDz7VCUA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "hEaCP4q5d76BmJK+ZgyoPY28jT3IjbK/WnwCP7KaAb80Go8/sJh5vzrd975tu86/sav4PpxcnD980RTA4Y92P5Jozb9kx5A+s55uvzVy676ljr4/qdWXP6stGL41ovI/Biz9P70ohD6Cerm+lhzBPwqs7D+9Ew7Aj+PLvwpeX7+Sdjw/t5TzP7MV87/oFAk/ryi5vznaMj+VohNAwTupv+kgKr+RvTtArs6KvrGwtD+iWkfA5mMHv3u6Ub9nEmpAb6Q8v/gIuz8jGSdA1+EbwGBLij9bSQVAMmAOwOoxnb/s4EhA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 701839713e85f8ada0831b932af37796
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AcXsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UHInvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "L09nvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Xf0Yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iIWSP2A84z6brCm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFgORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ZQiQP8xCST5iu/o8Ov/QPibZa79ye6k+LbICP4ZPqj+mq8S+2llrvwhNrD8NKOy+8MN4vz8Per+MoXM+L8IdQERDj7xj/oE+MyrUv7eSez7mDB6+fAdDwMCRLj5DXQ2+m3+1vxuaEEDL+0S/BV2LP18fDUC3TiS/KPEuQKDXfL+qCTk+m2XMv34FBMBUEfY+QN5bQDJJdD8L1lG+9Px0vxwPNMAgBDw/7LxXwJfzSb8sSw2+QntXQEEhlD+bWKS/piNhwIbRPz/xU1G/SgpTQBA38z/Y4ac+J/yNQAHqFT/W2KQ8", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a5c2485b31c2083ad60fc918842afb3b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "26Tuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/tZ+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5ZvNvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DAkYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4gEtP4nSHj7+t7K+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "NcgkP6l+pD1yJi6+BgArv8g8DT/4BD+/LzWOv4p+1j9QdR6/0V3MvyGd7L4Mk7i/N9HWPuzGTL9e9ow/HMvFP8gTGr9F8Zm/pgq0P+w9jj9ITDo/iXJ1P4ugBkA1eVA/oxbCPqP78L8PYIw/lwa0v8Ay07/Fkb6/xeMfwKCZ6jyfzO6/xI+ZP/yvNj4hAvc/umpXvltrib2T7wtAJQOGP6Hpub+XxdW/SbwcQFIzmz+hKdc+J37sP7+K0j0D6f2/cZhQv5DUMT9fB/E/i+IcQPdFd7/TyDW/mxj0P0m3xLs0sS5A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 51ff29abeb6beee4d5bef72f34fa7423
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oOwDxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZeJmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1O6XvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "++oavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "y0rTPSKOZT+RD0K/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "1orHPsUdJT61wJO+wRNKvyWTuL6wPx8+aU3cPs8ryz/iXBk+TNI0vw/N7T/DqVQ/Ef/Cv/o5Jz8/LF0/xoeBv7KOMUDYk6c/OPSmvzw11r+CUTO+G6LEPxjAE0CWVRK+BfA6v9VRHcAhQaQ+Q+gKQMCO8j9pW0+//+rDP5DJU0D2Oli9oE0qwGLJCj/vMrY/iQmgv/di67/2oaC/2VdDwD54yr5Ntas/fNOqP0y/qb5eGoK/O4YWwMwP3b8B4vo9QG3OPxQq1b/PV5y/JAwEQC1k679Azg3A2gLAP1gQJMCrWNG+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 237ae331a720b7f2c28913a577fa6e85
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NqPuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "O/9Wvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wt/PvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tB7evQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sktsP6/rbz9gdi++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJAORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "fy+RPw6U0TxChEe+q/lxvUonab/jQc6+xcU1Pz/ZnT/cbAY/qWoiv0V0t7/6KwY/2LjevocGBUAObKs8vhcQQAuZLr+tqRI/znCFv016yD/lHjy/I9rHPEk+lz9UkOI/VWoSvzmNjr/cSuy/Jk3jvccZQ0DXk7y+GZB5v2TwAEAFFrc/GVKlvbMy9763vSfAW5eyPhEDJj9ezSlAMEjgv0B4IkCRD/s/RIbBP6WRuT4bZJW/Cf61v/Am9b//9wfALXfuP9D/jL/og8A/97QqQOBwwL8i9Yi8rTZDQDBD2TwpYE0/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 44cb961c1e1cfe575804592c09278868
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2YrJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "exJovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ps50vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7N4qvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FhOzv9fd1D+BWx+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Y4ZYP4ys8D6cLkI+U0oXvvk6G796trm9jQBPPk8D4T+N/Y2+/5Srv/g4Fj0Imh+/OzGUv3Ubrz/QbEO/kXDePlNywz/psZk/FKMIwC6yF0BbfaO/03wQwLY9/r5Wwle/Dl4WwBhmSEDmgQS/mn3zP+A3iT7ano49oIr4PNt0979NecI95DGeP+ECH8BjlBc/3d9EwIe/8z8Zscm/pF4OQH5KPMChYH4/TtPcv7fYOUBKKAnAXHFDv6l8KMA+0BO+kNDavjNLqz86Weo/Y4RCP89SIkBvN0m/2e+eP1KkBECInNY/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2c1944de59512d348b4a7937f44dc4c8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xB6/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NiAivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PIZHvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0qcVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fuPrvfj84L7IJOO9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJgORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "FsqJP6Yxyj1NiaE9kFGZPfDZWL9knyA/cnVGPyAlpT+nZ/i+jlMaQAMejL56BKA+cYcmQGyWoL8Lyh8+IwpFQLefmD6e3T++fpwOv+KR6z/T6i+/R5rNP/cj9j/KeEu/JVHUv1kVkD+7NXC//zYpv/75OkA8rim/aaTUv37glr4pyIG/re2SvwDIf78CncY9wlUjwBfVKL+6Cai/G8UnwMHkzT/r3Iq/5ZXoPgcm0r/6he0/IKQ9P7QDfL/+vytAVm6nP26WE8DbHtc/R2rqvzrN27/kWww/p3zDvnjFEMBe/gtA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4b14671b7dba5009ffae02a2f62f9005
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ScPsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6ddGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZoQ3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0PYYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dEFdPm5R2j/g86M/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "SVf7PkP2yL56PA0+vhAdv+CStT5Na7M+6hXivwis0j2w4K6+CSPrv0u1ar/Vz5+/RJX0PrqUur/njEi/LMopwC8RND+/tDi+M3zhviWkpj/JAqg/0chKv6hh07+Rt7q/NOiZv1hH+j9TIrM/7LDCP1/mCcD3dXi/i8sSQP0l67+9T8W+BZNcP0o13j940+c/s1dWv4+fHcCEYgvAUea5P1dVWD9BDwJAkvbPP0neKUBNE1o/OB0uP0qFD0Bj1jBAqIHrPwjqCEB2WbO93BuGPyKTY0AeNyA/3tMkQFSTPUD+DaY/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d5fb290c5a7b7306e0a73bfa5b8aae8b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "scXsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "M6VFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "d2nDvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BDgtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "v4LQP416aL6emKW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALgORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "vtqTP402k77NjUa+VRlbvclKDb4l3Y2/wqGbv7IHOT4M9Za+dCYMwBN5hT+oJTu/Vu6HP9ONSr86F30/zLpmvi0qhb+Y6Ls/s3gWQHMkBj7FRDC/LUP2vzPAwD/Zw9m/2EhOwF0yoz+p3BG+U4nEPbXVJj9OrOy/L4YaQJb1lj5M8Na/6IJlQHw7pL2FYjc9niarv2xKCL8KB2k/d7SRvgvxz79xMhhAnRZTviIfi79N7tK/GEIVwNPHFr8jqqk/C5tgQB54wD6RUoQ/u0ZzQKGlkr/w3z8+z/yMQOR0xT6dGgG/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 28cb3702d0a654679a3c273c42059cfa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7Cz3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+wdhvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+KYpvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PZ42vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AyZwv6THnz7owUW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "kW98P8QAGj6+H9++cJFguzTWZL/jj7G8hRYvP3pWuz+pW76+n/Yev6Nf/D+S3EW9Irz6P08SKr6N+ky/CZCQvyb8SL85KYS/qmn6v5CzQT5vTYi/k+jmvwR4qj9dJKW+2ysav5R5UEAPb9U+Xcudv0BKyb9a9+O/K9m4P1RkDUAoGRW/lsYuwIGa7z9V2wa+Ho/Av+7ZZUDT1PI+FSDXvijxH78wlnU/W2oSP3BuFMA/4PI8OvZ1P0qnJsCJh3S/NrZhvh4kQsDTfI0+hqXSP3CHHcB2L4E/qykfQO4UJMCFyOU/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8ef83435b2377f9e82a3b435873b8136
username: gastegger
key_value_pairs: {}
data:
  {"energy": "U54AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bm58vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2V3gvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gj8Mvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yR/YPz246z7rkBs9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "kZEyP1mWsD3hzmu+H9F6vplXgj9AVgo/xPTRPTxdmb/FEgi/BwQAvoA9C8B8NAc/vIIyv59j3b9q46s/uvCkvy18Lj/Lp4Q/5k1kPzf7FD8Cfpi/0twCQBzmubz8tQM/KTiPvopmv79O5+e/b8dzvY3wKb+HryDAMwZLv9IQIsDgAgvAzLZdPu7WH0DXPSQ/6S6CP8+qM0BTHom96kT1P6Aw7r5Qk8A/Tv4wvzLCP8BOvLc9Y82Lvpj/UEAWALY/WScgQK4sdj/8PyU/0ilSP8xbJMA2Kmo/6QYvQOboJL+Jz3W9", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f8218d2a09ce85b1e6717e0a8f780c38
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DuUJxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZY51vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zHucvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "f1Anvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LWA6P9OfTb+1Tw+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DB2dPdoEr77hcY49G52mv5AQlj69C5e98fPCv/pq1z+EsAs/ON3jvEhE7L+ptU6+73sgwN6Z4z+lkIY/SgMZv7SOE8BtoB0/Ez8Uv/hOAMBlnZG/o4LvPpO2rb28LbM/4C21PzlWGz4qsak/DRJIv8+GJ0D7fsM+7RgQwPx/U74fVyK/fq6LP0IgsD7A1mi/hiJ/P4+9871fHfO/yR+lP7g1GMAVMo6+H2edP977VMAYHtK+ZtxWP2pwsz8Vtn6/eP4aQB5hej7csqK+ojo0QMwZLb/JcvG+sQ1DQAHlcz/xbS2/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 234c48f204cd1def23fb5af280b859c2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "C9EFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DOeCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nKPOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Snwevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Oq9Bv8gH3T7kDwY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Kx4kP9J5j77UzoQ9rzlev6PW1b0ICBy+sbBxP0ogoL+UbbO+mVOBv9N/jD4ivJa/fkJnPyWdo77H+o8/dOW6Pyb5SD/n8R2/bg6IP09lwD/cCcG/V7s6QAbvcj8LfSa+QoC5vxNBXz86hkI/GITNv3/xu7+aKRO+k3ZZQHPvrz6Ji0I/rmleQMW02D/jtUS/JJB9vzuuH8AYDp++dcZGwOvct7/4gq08qsHzvz3a1T98bMQ/0W1jwONxLr/wzCG/+/0UwKIFGECtXA1A3Y9WwE+kkr9v+4U/MjVhwNT5GsDQZ0a+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e3dc81e3d1a8954067b5218135a665c9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2egDxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "J6J/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "f960vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6DIlvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KzCUvq2GZL+iXdW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgORg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "BA2SvShZPj7cgAm+9y9Mv0zrT758vZa/ZC4Qv/NxZT9IemY/EMfqv5OmnT+Tl2I/FFQnwNXIYj/Yv/+9Cu8EwHFMNj6p45C/bmc+wH6VTL6aGBHAE4KxP3tzKL7Cxqm9eFk8wMEGpL/aEBvASFPRP0vMQ79EfXW//i78PxafQj+6SBu+OUfjP9RnY7/43po/e6SlP4m2778tk6Q/oZknwPi+iD4ELkzASst/wI6X9T2rUQTAkbm2PxBdqL7VowVAkfJQQKpIi79a1Kw/d8GCQIJZLb++sRE/DXZkQLi107+vhhBA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b0fb14c7b758f835dc69f72c58b75c1b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TZ8AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EECCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "X9DivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8BcTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "T8zKPsH/gj/gZxw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQPRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "6wvjPpIy4D7leVY+pj1svwswTz9YDko/1P+3v4Af8z/atjE/T0nZv7KTm77RcME/PG1uPw/FeL6+QGo/vmQwPmdwrb76Tn6/1MGZv2ZWrb9z6uk/NwZwvmZFCT66OOW/U3IvwA/umLy8xeA/IOWoP/I31T+gCEq9ZZJOP8d+FECMPEO/ifuwPzAnD0BoEmI/BAwuQBmGpz+VqQy/dWIrQEaAPj/rB76/Sf7KPjpJ178MKZK/drFQQGyZMz8Xszs+vJ5TQEScDUDY5Tq/gxxVPzeSCMDzB22+YtMXPhVaE8B/mQnA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cc84d84b782dddf2b2eef404277c6f71
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G9wExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0htevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tjCrvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "d4MIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "asHrP0ATCT/wiii/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgPRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DhmnP3v7lz7rXwe+8p2cPVGFNT/UyFc/85mQP7wABb/V46C/7Y9MP1Mf1z/wDYi9qtOqPiWrjr7P0eq/L6sMQBgnrj0KHeU++KCdv9asaz5dWds+BD6gPqH3QD+Q/fI/iL5NPt9fAUBn2mm/HSTEPwXoKUBNRRs/kzcFwGbYpL5TZL8/tFkRQB7sOkBHTEM980C4P+Vh8L+qepm/NQPQv/PqZD6f0Dq/CFMwwMGpPb9WnRVAkWcLQPqMB8AK7OC+OY50P7GyNMDNUwDApWtYPsMEJ8As7zDA3ganP4LzdcBBJfa/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1dc9a6c6a62a15ad750625ca8ebe6741
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qDDaww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TidJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "IQKOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PiYCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Wd2Gv2fVZ78dWgQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABwPRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "PFjpPmM1Nb83Dag+8aeHvwsVJ7/RXUc+axE+P2itA8CrDU0/EfawPyZ8MT7F6D4+S9TAv3mh7r8cnjk/TPfYvufCLMC9nYA/YKaqP1qrvj9IFWC+F4viv1zvkD4Ez56+Yvz2Pl4YCEB49oW/iHvCvi7xzD8Hvbe/9h0xwKfohT0pQH++fBANQL7gAkB2xwc+TZkav2wEbcAlMa4/a0IcwPPiDMApShE/jzovP2nNYkAFBL2/Vx3eP7mDG8BWN34/hOJKvj7chEBwFJ+/FdrGP7fyf0CwaX6/HhpTPzVJZ0CXCCTA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7acf1b8edfcf274c63eab6f48fb2475a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KyH3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dVpXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "owG8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "R7PyvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9zscv6K0tz1zgCA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgPRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "WNTfP9GZcr5NCIG95HWLv9QBML8pMkK9DgsKQBCNmr/F2hM/+4iVP5cbAMCRBq0/33mvPzZkRD9abj2/rh8vPQhSm7/aE/w/kH1xv1DVHL+YZKY/qGPdP/QxIsCtvwdALi4iPevBjL/RAUNARac+P8DV3j/Vm6+/nsYyvzkPBUA1u7C/dFCpPy0KHEDas/2/Uonjv3MVvT+TCYq/vNdIP2yVMMDp6Sc/qFwFwPLNKD6DICC/HC46wKt2hj6KEb49bX7avybmEb106Og/QdwdwJutw74TUr+/YyFbv+VjRUDmDOW/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 757a972b27ebe83872ae9469c9b66070
username: gastegger
key_value_pairs: {}
data:
  {"energy": "bwbBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "t9Jrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "H2hFvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "r3g6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MEcfv9kIdL8viym/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAPRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "3bZuPy3IYr7NGFI+ZEaePi5LjD8BFQk/xiSSv77Sqj8vS3I9knxgP26Y9T/QNZ0/25T3v2AJND24IoO+GkWLv0aR+j/2Cli/DbiJv4aROb/bYJ+/quXPv4go+T+oUVM/a6aBPglrbr+CrzG/4awJQPCoJL9tVng/h5j6PzscJL8nDQNA1vHpvvnrCMA0j46/GRCSv+j4xr5i4RHAuXUEwPs6C78jnSg/6JA7wM04jz7cnyS/BYBHv6XrNMAtm6u+zz1fvkfDJ8A3rwPAjuE9QLahij1CCU4/s8YeQIrY0b/FVis/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


