# systems

unique_id: bf48fa969233c12fff91ec0a8f5244c0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9bHRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aa1ovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NNUTPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "W9GGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bHh6vVFrzj+XkDc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "e5djPzf+ob2nTYW+0reCO7xoYL9GZXO/Yxuwv6MzW769lGa/Ez6VPqzv9L/utsG/X8ehPnxzjT+fY6c+KDubv6Ocbz9eXq49atcHwI2KcL9WvxK/fskSQPeZzL4Spxy+U6Kuv9GGCz9IT8E/zIjev6v67D/UFlC+x4Tiuy4PhT/h7es/XRcIwD/vfT84YQBA2JRQP735AEARWaW82yLSvwJ+8D3Pa/S/5XQWPy+3sj7p0hxA77WxPBotAkAQqxNA73kdQL3tqr+PITC/xhkmQHtaBr9/mGQ/+mY6QIUAxz4XNBm/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b509d009f516b3b4d5ea8ecb2d7063e3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/JsAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ICeMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Cr1+uw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pimKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "21Apv0kuVz/pZTS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHgERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "rMfFPmGozjzANvQ9vyqDv5fILD8RYKk+WNTAPV4kKL6jNqO/BmapvzJX9z2aeYq/1tD+PleIob+uwVM/h28NPxBHEMALuLU/y9rOPxzwZD8yLMc+ognyv4TVUb/bnoK/cjHyv6CXgz/oTQnA5Cxwv0Dr4T94jqk++pnEP9NA4z+VjoG+B0XJP9PMnD82Jrg/zxLov/5Mqz7a67U/wOmpv3g6+z+E1AzARAA8wLI8oT/ll/W/tmbtvxaKCz+eB0jAnpjrvxxbIL9vhME/+Ig1QLJpiz62tIw9XyVAQFcc4L6i3DI/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f301f04a17d09ca137f15f836964721a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "o/3Aww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fxR1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EmelPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BOSjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VTBKPowVlT47/BU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "KfjoPkmrpDym4gK97Cofv7RfIr/BYF0/bnmOv0IAVT/18pg/+czrv9z8Sr8PIKG9MvDhvlEinj9AL9q9Zubxv5ZWPD+d67m9wSbWv4XCqb8pdYK/yKOxvqJUtL/tEMo/YSoswKvWsD8C4Nu+QhstwJBAm7/UyOM+W/NkP7QGKr8bn5y/ADo/vpXdDkD4mOO+Nwiiv41psD/LPwdA0gwRQJ+XKb99GEe//JjzP8iAFz68+vU+JggHQEb5qL4DQLg/75cSQAB/lT/D6P4+WnA7QKZbK76Oj7+/At8oQKqt1r+ZCRi/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4dd57e84f2bcfbcf000fd37d8a9f85c1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3Kzuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "skx/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NGQ8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pTNQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "m1UfP6s+p76e72e+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "nGd/PysW/juI0T0+nlOIPanwa78++G8/10pEPs5Skj+u2aW+WzSnv8MUhL6ZjHU/NuVFP3eWMj5FmaS/WJiYv/woYz8RkSu9chMWQMEViT64808/nQgPQK0/Mj+YAeg/TvMFwOYjvz+83A2/tmE7QFMSdj/U6E8+Nr+ivfXlOL/XzAnAeGHJPn6F+L/Ppr4/ShEJwJU9bb9NPz8/GERZv2iTob/jhMy/HecTvzFLCb4ndjvAx4+7vwUpGj5zivs/sxfPPyceHD8mg+i/LRs5QEF0LL8UEWg/EK8OP1pDu79SOSnA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 16bd9dd34e707dc45c2076cf0fa5bcb5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4sTsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qUyBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vRqgvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+pVuvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Ft4tv13Ehz49Yfk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "V4NxPwMCmz055sW+onqxvUsAeD+bSC2/fP6rv5gGkT6v+Bq/IG2Dv/n4ib9wm/S9tnLev9YP7L0C5kU/LQTzPXbSC0Bk2ne/k6JEv1RDKUDufpW/U4XxPtbmlr/WEgG9mjAWQKU94T41rNK+POaTv8EzAz+d7QBA/A40wIwlib7bYVM/+MKKvSrbFT8vn/4/3qCSP007CcCJgXw+0gojQKsCnj87W58+i87Hv5dvwj+M1QlAxuo6QOTr576zjCa+5rrGvxSx9b8okA6/fpu3vylLr70FvDhAMrYnQBFpTT9ewrO/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ad08c6988322ba9bc5af7904f0d122df
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DZTTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KIJ4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JVqSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ndegvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oRCRvuqV0r6pagK9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIgERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "XMuIP8eeE74icJW+oXTtPf/yYb1Z6V0/8Lygv77+976Af7k+hMd6v3hPdD+K8zs/DkWaPt6jJL+ae76/fW7hPnUjn766gu8/oa5lv9wW2D9WYIy9m+arP9GJw78xqVK/mnO+v0a+uD93nvg/4dUAQHGcXj9xPva+I2stQArnQT/tYzM+PuWUv73zXb/v6Y6/7F0MP2iVf75M5x3Aatb1v0gqhL9tpII/pWkbwGarzj+Yn+k/TkTpvwxdf746eN6/E9O7v3tB9L/p26K/kSqCPxwQGcA8+oC+x4MRQEv5079rn66/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b2620bb22d00caa5a3ebc9107417bd3f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "epu2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ERxXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "miOLPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "71aOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zohSvdkl2r6WBKi8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "b5uCP+h8Ub6dzi8+XGYAPm6LtL/lSPs7nBiHv3R9W79lRlW/InscPp6tgT9nItG9yjiXv3U7Ez8y+AG/aHb+v3Risb/LsR6/gpORvjTC478mq6k/bdBJv1U1JsCp4qE/MGGhPwluKD8a14a/lRhDPnYYEkC1BzQ/YRbhP04kcb7n8XY/xMcdP4RpEMD0H/2+7pzjv+XOKD9Fs58+oWtZv18pe78nZ/O/Fq3Ivp54C0BHJdA/TZybPxdgIkDPkXs/GPRmvluUR0CQtwY+k3GDP8z/iz6LlALA9yoJQNjPpD8r2oO/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d99c6057cf0ad1ae49920c66796baa4c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Q67Rww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UfZ2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0CnIPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xv2Hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "A5WtP2FUSr/UQ5Q+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "9mNPP+sxcLzKifE7eLFwvk22YLxSvpQ/ljyGv1veg7/RhLc+EciFvhvGMr8ar2i/dEAewAXTp79xgNI+pG86v4gfdj9ogZo/lznBv0ecFsDBZ1Q/zIXqPfwvmr61AQpA22+lP9mBrD+Q6ee+4UMNPxwdFEDUGgK/AUu0v5A6JcAvsPE/Qj7SP1gLMb8Gk10+ZW+7v+38TcAWtjE+uTQ5wBXzXb9FqJw//PsmQMOLtT8MLE+/wjRMQF/EGT+NFVy/9IVIv2quLT2tgMK/KdqVPUZSw78s0MS/Tp08QPm1EUBIaJu/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bbc5de936f06e9fa76081fa7d7a95af8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LpwAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZKx2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+WcGvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZhJVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zscVPlwbKj3guSe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "hAruP6gnCrzNL7u+r4x9P4ficT5I3rm/lBD3veDCI7+2L7a/LwZzv/W9B792Mf+90WYzPnWF07/ezNy/o7StvxZ/T73R7gbA6rUDwCaWYD1Pu1i/NGWVP+FjAz6VVH0/lBEUQC6Cgb/MxNW+YKepvkEezz5d3W0/++2dvz1ZvL+tsrY+pnvjPxy+1jx63AFAhZqXv3djbD9N+CTAxfkqQNKnOD94Oti+UeDvv9wRN79dwzPAhXTRvpiwtT/8aAA/tUNwv5xhiD7FNw9AXWFjvukdxD7OvzxAHjXUvyVVdj9GzRhA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1e78fba6d9fb5f7240718153e9fef99d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/miuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pUpkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "FTjZOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZhRrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Yr48vDDwXL2MoZy7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "4wFKP3hAhT73YJA+utGNvqYTgD2R1VK/bM7LvOtQRz+Xub4/93pAP8QPkb9f7Xs/l5erv5D5Nr8hk5u9ekwvv26/Jr8du6s/fl7Wv2OxGz9qEzi/kG9YP7vIAMBPfa4+UCzeP52gFz/CFly/vkG2P3Nqmr89/es/PT0hv+fg1j/NSLA/QDqgv8Jwib9eCAtAnJX2v/ENvj8MuwO+SXTqvxr80L9TxMO+rsJXPz+aaT67Gue/d/sxQCnKXz+KV2a/4kMKP/GeVT/jExtAuYEPwGrcCT8vd9K/9g5kP+mtGT5RqTjA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f73a6c1f771dada2ce207b7c665a08b8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NI/Tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ky9pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0JjJPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IjGBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jUVTvYTTAr1q3vE9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "QZDiPlK86TxfYve+7SJpv/K6Rb8nGq++f8bPv+pTGz/wb1a+Fwkav9MqRz+sM6+//qWJvwvYHb/cz/C/JN6Mv3gg2L9JuGo+BDSJP7etOj/MxS4/7U+6v/+8lz8IETM/xi7nP6/zvT+PNNU+WmzUvq6G1j+Q0/q/fxsrwIR7Hj+9ewG/q4u7PwVuFL9P4qC/VHZpPzTk+T7xcP4/ElTGvjmPlr9RqyDAPN+ZPYrByr4YjyVA3pMGwKtDKb98+Q/AdDHnvsZVWL/PMfU/IYi9P+N2hD8C6y5A1XMHQJVOb79swSS/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f022a53f819cf7661817ee514edefae7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "niPmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RMCBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8mH2vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SrRkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eJcLPOKSW7/Fcqu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "3e5BP8kv473PwYw9bwWcvlQhSj+CQ7A+nBBjPv1nwb8cUNM83iedP8dOGD7lCGW/maDEPzdIlrzP4Fc/9c7aPaMcCED5GOQ+tjYEvpDz8r9VU3o/6tEQP9O8H0C4jvm+yJ1aP8aJEUDNQp8/Ed+Nv522PkChTUI/TBEIv1lSAMCbOJm/UfQovyugqr//dgLAGvUCwKUqGUAM6l8/6/mIv6CohUD68V8/TwdWP11VIsAqw2S/gXzTPwbYDMBCkMO/FSCGP1B1dsCSau++q8awvyEgKsA5roK/2eJTPuAiisCC/+2+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ef1578e4631685ffa0ba12447bcbdf44
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MqXuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nrJ6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "a7byuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6xxzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1exxv5TZID4oDxO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "+w8EPk21cz5Q4eC+LaOAv2cjJr++/CO8D573vhxQ0T/JHA+/y2EFwG8anT51BNg+1s5Hv9A1yb8uyAI/hTPTvxAs0T8xfYc+CH1Av52S7D9jLM2/yIBHPo2DGkAQp1O+P5+5PyRuzz1pkig+qfISwJTxBr88SE+/IJUswDybMj5XCKc/lVenPwo8Y74j3J6/oKMRwL3ISb2DM+S/PCs/wPfzrb8IVzy/lXLpPyMnUr8JapA/x6mqP9FvHr+0VAZAJ+euP/nmor+5kMG/wxApQDQC2b+RnXc/9RzlPxNu7D5aove/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 68e560474f2e8ed920efda21c26049e1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1Bq/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UU9/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HqfoOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RUqDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xjOAv6n7oD7CL+W+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "F9SLP0DlFz5boIQ+WnlyPlJejD+SSW0/G1axPjdVGb9jVVW/5EyRv10RDb4yYzK/YjITQMU0lb3XeBA/S5KNv2FmgD9dVpg+PEOfvas0A8BEu+u+TPokQFdaCD/AkKs/xBJ2vutBCkBvaME5A5LAv4+vxL8DvPC9mQvUv3nT6z30r8+/j179Pg23IMDOAbE+J8JaP+po+b4RXOW/2opmPpwGDkCv/Hq/5R/Vvv2NR0DBBPU+zt34v8iujz/Clno/O+F6vSX6LcCrY6m/xhLcvydxwb+3MnQ/wOkUwDRBA8D7MR6/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b93991bb364e16221f293a7d94f4a622
username: gastegger
key_value_pairs: {}
data:
  {"energy": "r6nuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NpOHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sBs2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gJ9hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6NlUP3pwN7/qBOS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "zQXPvX/3HT78qWw+/061v36wCr8J+jQ/dwA3PkKQtj/Ek2o/Nct4P3rRPb96taU+8yg2vxhxrT5RBZu/wBf/vxPGq77VCTO/vQZDwG3vFb8I9Jm/H7bKPvVyG0AhoLk/kymfv18Ny7864nk/yIv7v3zpMb2UAsE/U6QNQFzxkb49J2K+hjAFQGt3l7yRxaO/JFdOQA/Zs7/Dloi913k5QEobE8C+4Bq/+H9WQCv+1L8ssHw/t8g6vkv+eL6IIvy/UCaGQHzVi79zBO++tY5Xv9KIrj9bNMi/i5kiQKlFHj+p554+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 258fd003b9937166664185dd42d0dab9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "co/Tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Iv98vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vCTOvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ijpjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VTAqv8zR8z588hC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "WDNcP4AibL6a2Qi9pcQUv0RbC79eKOs+uuGEvyQ8OD8aH7O+hMGxvigu5D7RqtE/jmV5PrGUlD9LTsg+ABI7P6WcCEBJfaw+kZSDP0vJnb7mXY6/VXR6vzH9OT+cVN+/Ug6Hv2oOw78thAI/L7a0PsTh+T2Y4hlAawAEQOPvQL/+/DA/+pyevx3aZj+J2ARAzkMGwMCl8D2eyBbA0u4KwM0sc7+xvAbAZ0j8v1xClz8TcYc73i4DQINGxb+u080/OeJBQBb2t77AOpk+XEZCwBDcGz89sAPALpX8v9ioYT5+3FvA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 59b567cebdd7ad9604a4d0e1a69b46df
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Up4AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OGqFvQ==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fjsJvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8pgBvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5pHvvkRMIb9UHa6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "VRbFPwNnLj+OX6A+XwwpP9r6Jj5lwps/PBFAv7RgHz8KUW4/eEKjv30Wib44W3C+PbI9vw5b1T8owBw/LZAMv29xir5Psci/PGqovywcpr/90BU+7C3LvxwPBz+LVgNA78oTwO9ERD0kIsy+L41HP8Ospb6ALeO/qmPvPxf5eL59Hj+/kaFzP+qOJL9+ygNAq80yQA59BD6s4Zi/e4a4v2ZwR76ZfSnAAtSyv+k3ob71Fh9A7BQHQNNbm79GPZS+84+QP8kswL4/bjPACTIUwKUnL78jvCDAOlWEv2Qr3b7wv2LA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 57311db3b7cedde13ed0416013d37af3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4I/Tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bqJ2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HuCJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Psmdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QngsvwN9Yr4W+8u+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "RCVZPzwJmL1MRUK+IvXXvjv0gL+By8++RleePbUjMz/A7Fw/1IWUv9QhTb6YGyY/oLUqPxcb+D58Jc+/CuQOvyDO5r6nIuy/FPDiPrmuxz+HotO/5ormP76rOD7+BBrAJYzPvtYMBsDE45a+qFQNwHrtpj3EYiI/wdrJvpKNXb5N+vg/JBNOPvHNi79c1w1AQA30PUBy4j/x84Q/nT/tP01I3r5GRiA9iVB5v6+B6j4kqEFATmrYv4Srr71tmldAhIXBvydNxTydywXAq5HPP0fp5z7lAlTARsemvtCRmb9BySbA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 811d872936c95c4492c9f259a0e11cd9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "F5TTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "G2J8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wLHnvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "42tfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cVo4v9ie2b7M7gk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "z88vP/mWfz2VHgg9JMDLvvM1BL/zF3W/O7KMviLLk76sn5s/UxK2vytlEr9rHTk+eKqGv6RAbj8il+A/KtQDwE36Sj/quRI/b8r7v7ePxj+l4lK+T2/FPd5khL/l3/U/ZAtGv7zDhD7BDwTA3+pGwHbNOz8id14/SRf9vtMK7z/iEes/KJJWP1RjkT/UedO9TnDCv+VJOT/CIi5AiogAQFBMI7+vvrO480fyvdTBxL/a86C/ZgX6Pw6s3b/m+WA+cgUFwP2PuL+hJGE+E8GZva41aT5XbS7ArE1EQFPz8r02iIS+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b5ac36e316c46adb1da276edfb630b18
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iCHJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "u35Rvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "58dfPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WriEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MetFPDwxAz+Bshk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "/QzEPyvNOT/qWa4++AYgP7yjpj/WYKE/vKB/P+aFIL/mgMW9nmdVPxT1or/L90c/jqWCPwA2JUDCBtk/uiFQvkzq7b5h/GW/XQW+v486q74vjBi+el+wvwcZCb90B2w/RsbTP35osD+LqQm/I8b8v8EMIT8FMpW+j4GLPwDGUkBG71s/daL/PzpyI0CWAg1AKz79v8/mw79NFXW/52QbwNRjF8AEV9O+yRMfv8rp578BfK6/rV/fP/nkjb+RXzy/lxInwBV/or9SVOi/8m0hQNX0GD/5ak4/CcKIPif3O0CKphlA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 59b29df70aaeb86051f85a97a883c73e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "F5TTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pU11vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "s33IvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7z1cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/mDgPuYiNj/JsCI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "5g2GP3rVCr7lnAe+SgRRvjXtRr/wrhk/xBxwv92zDj/hqPk+6g3pPap4gb+vzc8/LqNMvyqPAcA7XOc7SuCPPg8vmj+xjz2+ST5+v0qcfT8rYXO/+dTxv3B4BsDjggG/ru2Hv1ixgD63Kd+/47rNv8gJdz/lJ54/6/vIv+rx8T9t4pG/I92lPzbnEL9pxI2/FjEDvld4OsBAYGk9SI1tP6vsIkCZaqI7Qu/PPwMLI0DQg1k/alO/P3LGNUBalWK/i3IyPnE/VEAgekM+i8APQNoMF76tABk/IVoFQPHlbj5G67s/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 50723c7d87b0faeb6d4a5e7cfa817c2d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OSPmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mid3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ai5IPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jZmUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pU5APtI1g77EsQ4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "BzY2P/iiBL9sR749j0+ZvnhB3L1GcYW/xkdNvrMnVT6cWo8/rsoNP4ae9r9ERHQ+z0oKQPTByr0a6sO8H/UOQNhpfT++nIy9akmNP0PdDsDngHc/Z7ylv6T/1z5PZSs9+c+rvt9SjL6W/wVAGR8nQFJlB78kTmy/ZpE6v6XOkb/of/C/vDWlPVJIMz+Wp9a/kpDjPOuA0D+07po/wGASwGtXyLzQa0Y93T8vQMrg3r5Amlg/Mwwcv1kk+7/AVbG/PnmOv8uP9D9o0LU+ykRav8NtJECa6Pa+Ecn2v+9dF0DjSG4/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5c516cc9397715d6a2f535f21e5f3a5d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FKfuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "24h3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "F9lOPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NjuCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9Zykv9HL7D8sfdg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "pWBqPmfS+jxziLy9KqZdv/r14j6oyY6/ndFBv606aT6WIIU/Pb5iP/fvor/xZHm+DooIQKOYNL8qH2S+zx/mvyqGNz8TQqM97hrNPxa1Nz846X69tE3qPyHFsD9CwWW/cq/5v01VGr/tjTk/q/slwNPZ+r4YO8E/SEk0wLj95j9y2Es+Pr+Zv3pstL6VL+S/jHwJv+DSBT+/zwNAegdMQMrln7+eCZ6+II8ZwLpjMUBFL8e9NQMXv1hOqj//Qdi/X5JrwI0/zT8CR+O+NhLxP6RmmT8iXGA/3mxLwMUz8j+RPp0/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b4c12dc39a3a629aeea422957d343933
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jJe2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "209mvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bLWHPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SBWVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PiKWPrQfSb4tslU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "9+dlP+GV5j06tHa+HVScviI+Lj+7xBE/6Q5Pv7SrOr9CokE/V7TfPn4Ypr8lNkE+0S2kv0YmyT/hvze+tmEwPm/Ypz9CEPA/BD11v7SpeL9dc90/kFfEvyeLkD/rhZK/W+1avxciJEDzyrS+AOKcPjdsyL+Luqi/aAUhPwMkOb6Xvs+/iRINwI6x2D8RGMw+7Zp/P9vY/7/5kk4/ZIXwP7UBEj/H4rO946VqPzAzLj/B5hdAbJUxv5i87L8vY9S/UsqHP41qD8AG0d6/1vwfPyyyEkCQO9k/Lgcrv5ayuT/JHiRA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 21064858cc56cb8e02b231b71f778a11
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JJDTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SuyCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "A32CPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "i4ujvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HuEkv/5IET67DwC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ZB06P03cHb42wRU9wm4gv72UFz9wQxI8AVaNv4qj8L4GeYG/QvqFPuJFlr+Av3e/hT68P5jx3L40jJs/yHwCQNUS5T5d7mc+gZp6v9IF7r/40Oy+xGSwv59DPj9jF6k/8weNv7X0A8CX4Rg/D73Zv6VPbr6nFvG/huQGQNBZvz9XkQI/J4rEv3TSXr6wROg/bSGuv1tvKcBDSo2/gg3QvpWy7T8Fyhm/SfhOv5QOsT/d+v8/b5paP3F5yb+NAOS/A9efv9TDFEAggiG/r145QOajQD3K0J++7Q4XwJOhmT85UZM/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c0296b9d1125bd73b13b629259620d4b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/5i2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+gt9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ADlhPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ha2avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LxdxPfCirzqhuU6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ElpFP7bSWb0z2YM+53wOv9e5Wj66GgO/MTeav4Msfb9FXHg+TQPzPZYCmb/c7ns/+/cDP3D9mDxQi9g/YlYEwDOkPL/IkF0/aUqbvwH8tj9aazC+9EAKP4vxCMAPuKc/tyCOvuTdHz/OOfM/ew7vvspWKT2ZVwHAgFm7uk92ab+dVBLA6UsJPmxeVz+wEB7A1aIKQEj0Iz4Qs3++p8C8vyYU578T3Ny+BrS7v5yKnT2Knx3A8CdAv6UiCkApKRq/fz8UQA6Bl77t1p2/CkAZQO1PnT+1q6y+WL44QBEyjL4LBOU+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3f237cc9a2fcd6f353247b06b9ba7ad1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Myrmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aJJ4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qmSAvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "04Vovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iEsuPqG5sj+zQYq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APwERg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "wOiAP1+XcrwF3ka+HWgFvsWFmL4F8lM/7FGWv891Vz+kEyA/nOWaPkEHkr4HMOo/n7TQPlJ7gD/9CZe/2hXyvmN27z+VAI++CQ20vjIvdj6XPQfApkNDv1ec07+20ho/NsA1PtmDIUAPc58+DySZP3iUyT8FaNi/lz2Vv3tWIECIT1e/wm6Yv87H5L93W9S+L2Vsv7j4VT/n6ybAj8BTv23aIcA2KLc/HqOoP8yla7+nXzu/q5UFQKYdDD8TQwk/bf4DwK6+5T7AmPM9X5jAv2thoT/l2sk/EB82QHzlHz+/ylW9", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 188956b73f4374756cd96d6ba7945218
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/Bjcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bvx5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iEz5uw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CjJyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wM8Iv4Zak79/wV6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "SZcHP5pvED2j11m+2DJkv+KCuT5Tv0G/b5hzPh37HD5LhNu/oxbYv++RWr/EfN6+iLHGv8OKyD+gfRu/uT3yPmIDrr+PEt4+hAOFv+WMEUB3dIG/dpOoPxbOiT//ybo+4Uz4P5WJ+D/F0lE/nG9zvxrQ5b+K2B0+vAEvwLEebL/2VTS/E/mHPuImQL9wHxTAC5ApPxz3gz9lZwzAhi6mv0B1MsCBWdQ+r+JNP5AKrr+8TPc/J/QFPmvAMb/+ph5ArVbqP+Kig7+r8QZARxUyP614F8BYCBZApMyWPzPKAcAwjKG9", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bfda7e21f105f4f1454322925de462b1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EJa2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Nh9nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+P+RPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mQ+Yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "U8s2PrYQZD06ery+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "IvBoP8s8HT+KW5U+ps9svh1RlT8F8xO/qjsVvX4PE7+eYzQ/DpeOv0TUAz1VKEK+PxiXvsBpHr8T2uI/SW+5Pqa+6r9kK2g+Rp6wP7pSG8BMVYA/+4qtv+HpsT8ayLs+Zd8HwCKf5T/Omi++rmUTQLEf6r/JBoA/xTPwv+jKAL+vGz6/LL/PvRJ9+D987Oy/3fKHP1EWJMD3BANAshnMPyPeWcAN6RA/j3WjP4dMoz8BNoo/sbYaPznNuj+HNSLAg+PeP5cQcT4wmp2+AqOEPjZXPUBhbdS/PoqIv7w3AUB3MBfA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7de98c28e5480053ac6b06c81f37da39
username: gastegger
key_value_pairs: {}
data:
  {"energy": "m5PTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "oux9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ATEJvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YqBbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SpipPivBsj7NWAS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Ooo5P74ppT1BIxS+LKgyv/83vr7PosE+3nikv+ysfj9ICdm9Hzz4PY4jvD87+gK/f4PBP//JU79eA4i/Ghvjv35zzT99fCc/gg9vPxAGkL/fm/i/MxToP4sZ37+MuQq/6+44v5LlDL8eQ7o/VI+jv04Nyr8FLp2+/WW+P22xXz8pPm8/W4DDv8kBt79FPrG/HMVTP+XuBkBKvBE/K8waQNEep76XErW/D7n6v/OVYD9dEna/BIGBPnGx/j+Qeru/88q8vxUZKcBTS2c+IHqnPzaTFz/QS/0/CXckQEq1bz8NyUI/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b56d4641e43332a853bb26a417b2d30b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eZPTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "J/lxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6dSVvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ij5fvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RusovbzLhT2uDam/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "wu6oP0Sebz7wMeI+IZJ+PgmXpj8WlJE9VkDsPrhDWr9r9IC+b7ASv+ylVD705SC/Eg1tv6+cYL+zPq8+oemKv42eJr8/XrI/vQykvzb00D4Hpfe/BHxYP8rT1b+fBFm/TDAfvyPpcz/mUyjAQPppvgQO5z+9MGo/W4XIvzth07/Ib4K9/xfOPx8OJr234PE/FxwRQIOVxD6zjbC9ORuNP8g6CT8hljRAIu0UQMauYL891wNA3RoLwKbGhD8GdeO/cJ0kPzI+A0DZfR6/bYLRv5TgXL/4ax3A6oYKwHjdOr+FHlDA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6a265a87a85e062caa1cf3f48da00cc1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kgikww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kPZPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GcWSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jqyMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DMhePffMsj7qspg8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Hxw1P/s6q71xCMe6+WbAvn3CCL25+IQ/917Nv8IOAT9uxq0+vEPJv+Iqbb8DKFA/JnWZv7WhRD+B6oy/85GRullvj70rxKK/MWoUP5g8ZD6UBgPAfAL9Pwi2XL/sMhQ+1IwAQIcoKD8f1F0+VWMRwMG8mj+KPVI/RCffvTfohj4/8wJA4kb7vxAo9j7TiOq/4x+/v3Ll27+wiZw9MywLwLF0lb+cTtc/bs4IQLU+tr9Wf4c/zYAYQFoUq7+/KT6/N68MQDfXjz9CzpY/X78bQA2gmD9JgCC/mYiAv5hl7D9CtZy/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a9e7deb998d224c1c66916979e4a673e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xre0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ibZTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "X9FtPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cJWHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9mKcvzT0rz5Iv729", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "CUlvP/rD3TxyLL++4mkUvYvdGj+P4Zm/TuKtvwBSBz/dlBK/NfqUv/m6NL9ZOKk+NJaCPoaMJ78knx8/G24NQH2AdT3rTey+Nm9lP9m12b/gE7E/um0gQHL5Hz/adqC/zim4v2oV0b+cYUq+j7BjPop4vT8AHNG/TeThv1M8Jr+uRZ8/ErDdv00v5T/EoVc+Uy6Cv/op/D/YZ4I/78AHwEzZqT4smqq/fYf7P7K7vr+uEbU/43/evw67KkC/kuO+8uU+P+xTLMAfGm4/3cP/PtzW3L990hlA6NQuwHTu2D+4RSU/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a98f28df16264dd09fd3878e5dad517b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "C5y2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7zprvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fA0BvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kPdKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kdVVP9KMHb+Eu5M+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "N0zNP+e9I79/VVQ+lUAUP/uNtL2rkJ0//NpsP45cCD6n2V6/bQsoQHvni74jibk+N0zTPzWrCcBBTxQ9hCE8vortED+TQvs8NfO/PG88Wb9VgOQ/PFO9v6ryLL76e4a+NBOtvyKEor8ossu+rgzHvjqGBECSwqE9XRIkwMPmsD7MPL6+caIPP99cJEBdqZI+AauOv4uYFUB/KFo/QI1Fv9vtG0CYlWC/lO4kP60+0r4oSte/GCN4P9g0JT+0/Pc/fksmP4wfJcA3Bpi9EhwPQEkFG8CNUVm/oRcIQC68J8BtSmc/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d3f4964df1f0b375400daae6eb8da7e9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hwLBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kX9Wvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nbicPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pRZqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "S7CYvomYwr7NAcK9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "+6RyP/498L3108k8e9dyvuIHGTzg93K/2fQ+PiKYnr833Us/bWqGP6iApj/z5CM/cnJ/v+3ki7+dCDe+uH8Bv2BmuD846pS/WLECwCimjr+joOo9tssuP4wpDsDkvUM/3E9kPk1RCkA/8Zq+hroUv/Dsor/XYs+/m9sgP/TrqT/SWtM/atXyPzyh3b4PMte+ugBSPmHw/L+ja/K/GqpQPq6JT0CwFWm+rmq0vZVIXb/uRghAyIQsv6AMw7/u7SBAeZezvyCknr+gFhXAB2Wav0796j9I1PG/FYsFQMxT0j8zozg/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eaac1ad7ca1ebe7c0a69d675f8ad6217
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eJoAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NSdvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wmxCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BIw+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "v/H1PfSJrD7qeKQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "EkOEP/lYKb5E4uy9ey4GvVLoBz1zpHs/6qUWv0/ppT9ppC4+e1gLP8sRjz/ks1S/8DrLvxNjkj9Df4C++Y34vuO8IEAJWl0/QTvWPghlab4yzL2/EA+pv1z3K0AWi6c/EKgXQCocG79+Lqw9KaJ3vycSib+nQK4/sX/VPqSW6j49Y/E/riMbQGSUzr9+4EM+RNkyQD6hNr41hWY//xGev8QPAsAWyio/LSq6v3+jd7+dvRZAi4GNP3iA+D8ceaC/DE1Sv3tJSb8s1eO/YkSWP0sWy76n4w/AobN9v7FPv7/rqZG/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3fd8ecfb0bac7507b1f5db95cb747a31
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pJHTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wn97vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "n1WGPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FVWfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OkAwP1jFmz04vj4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "O8CpP3LK0jxKk8k9RjBVPjEYij+G9XQ9+wtBv5orAD/+FWC/NZs3v9PfHD99sZw/IhHKPkZqn79zUEE+Urxyvx+t/743yDM+TiBlvhKUpT7KeQpAeDztP41Y8b4KEaO/Z2bwvz2srj8w9bg/lNgBP1ri9r+8H4Q/fZjxv1b9hb+v5cw9FyNuP+ah3L8S2pe/NWgvPuqk5L+c/vu/QbHRPyODST74DgfAMe06QC0ENL/eHqO/BfO7Px4RK8AdApK/c5fkPgECCED/bw2+H8PRvxTXCkBjJfU/KjoEQO9sTD4kzWE/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 261e20666d2ca43ff711df889b2c3255
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FKXuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XTZavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0UGXuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TnxVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tr4oPkNWdz9hwxM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "JT9aPySGyD2mkaM9CfsSvyC4ob5ifY6+BMlXPwI1mjysesw/7Di2vgX6o77zTwVAWJKAv+ZWqT78ELa/I71oP+Lswj+Gngq/MDalvu0VzD9aBb6/yRx/v6+U07/4yEc9J7/lP74IRr9jNQe/M6Xpv/+M7r+6AwK/E5mBv2DrGEAcqpa/+ivsPwMq0j+9aYu/wHdbP68ME0CZimc+BlBFvfeT4T83ziHAiConQPDxPb+Ob628lZneP92qPT4I+wtAutkXvzT05r5qe0hA8darv+MRAL9xDXo/FY8YwClRXb5/BIk/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f5a2d299a42a45428ae76bcd662d2740
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KJW2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XYZfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "utmfPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nbmXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pI2DPtrhz77Z682+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "4dyDP3XMhz678/g+i9I6vmL3Ir+0fsc+AharPyyAGD8xswW/ljSuv2TQOT1w3Ry+Ue7Gv+2Pgr95Vou/mvKPvoBT3L/2JC6/ZXTevtLPgr9SLbE/Qn/Xvj5ojL8LogPAwyWYvb9nMcA0nQe/+WzsPRJuRr7YFxXA/G4/P1Cerz8ctbE/95zuP/PJpL7wF2U/Mv+5vbbr6z/SHIg/IyckwJqGr7/KTaG/odwJv0L26L/C5TbATM7rP6fGFEBmZr8/LMQLQF/mLkAN5QY/XxAtQJPY6z9PI/w/ZCzFP3xfSkBcTwhA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9c91bd9dfc2df63a5e254d59d16c37fe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/hK/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6UNXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CMeMPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ttOOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "e4iWvsqJpr5IbUI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "7zCSP850Z75Vmug+qgQxPlvsYL/zcaw/e35zv087gzyca8k/5v/gPgecfz9PWCO+VuiwP0H0Nr/yR3u/O6bbvcHF5b/ouYI/YmFjv8+Ckz+DSBA//PABwINOID7VVAg/kkgsP46TAD9n9sq/D+gSPnECXb+tquC/NHiAP1fq9j8/EKK9E2qTvzcjCkA+xl4/8cKZv312WD7yLydA84dFv1ipl78C9aO/JHd+PrDHmb9/BzLA8TsWQL3khL8aj62/uC8FQJjnM7wtV3k/NW8IwGDoE79w9YC+bwA/wNWxDD9d8V4/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 41691df5eb1c4ec03bfc063844c2f588
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4KrRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BI5Evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Mh06PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UBVzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JXV6P40oTb4E4pW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "o+FvP64/2j3+MdI+Q8U1vo7qaz8J8Tc/RGCdv/k0Tj8kctS9/9yxvRjC3T9vUOY/EmYFP8soK78ZYES/+VJpv5I0Q77LXZa/JmSKv3S9KT6hpwzAk6cOQItySD9/zJQ++sfcvffUA8AWeQO/xnyavZ7dF8Db8gg/XvsLwMW5oz8UCE49qCamPxb2Jb+6QsS/rly6v7lByb8L2W6/3LgZQFfDtT+YkJQ/Sv2aPhF8N8DmrJC/GRYCP/bhqD+Y8xtANc1BQM1eHz3yZoI+yDbhvzWFAMDuHea/wd8SQC9gtT9drhu/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 19ac1f16170170a670238ed60e84764c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FqLRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6Stovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "urx5PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jE2Tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xxETP3/Zfb5Eozs9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ldzBPm4C5b0K5dS8Q6Vtv73pMr/7TyI/yWQIvoXVGL9BTbG/4/uaP2hlQ79DypY+T/EoP5fdpT+HHg8+GXSovxcxnr8sxT6/7rDFP0W30j/3v58/yw/4PxLxVj+Uz+4/N6kBQJbK2z8bCiG+LcykP+c6I0CCT+U/DY6+v6TI97wCwcq/86rOv3jGhT1uLII/OJg1v8tQ379F58Y/T7fsPk4RbL+NtQ7Aun/0vuq1rb931hlA2jsvQB0XdT874PO+Xfznv8AgC8D/MXW/GXXnvwP1rr4cDSDAaxAIQEMgK0CIGim/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fea103327c7e08f78bbde901cab9eb8b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TiXmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5L51vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TKjgvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2qlZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "H4AUP8ucTr+AYK4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "qrJfP907Hz57jIo90l69vl7wDr9i2yk/3XgnP1UJlj8uxlm/q+HaPmU3Qj+y+QvAEbPWPkPN9j6UP7k/takHQFKXLb/V5hO+fZvcv6hBTL71SiU+lx0PQHjBtL9Q5iY/77vCvoJEkDwX3Q/A7iCqP4SOrD6rgSnA2jZVvqLE9b/2DXM/9kQFQNKbnL+npIu/NX0KwFzmaz9yBIE9hiQLvzavBcC2Hus/ZJI/QCKGoLzMOyK+IlAUwIxWjL84RwG+cEwGPjw80z/+aC/A/A63vTE1tz/Djck/8BGBP9HO+j2lJBJA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ee53ee811e3dd989654c35285d50e24e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Yibmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zEV8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jdJlPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ON2avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LJ8FvoleRj/fbKO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Ezl0P+FoUD74uhQ+7QPUvbl+Kb883By/mgrQPsVlfj5uSso/IueLvwPKhr9nmKY+QiuKv1SSqr3vHbA/wD7rvvX9DD9K0cG/8coNP0D5mz+n9wNAO6GFPycFNb8lhBpAKRsiPyI5sz+Z90q/kXVUP+OHyr8ocARAms+QPiz6E0CFCpq+dpj+P4AEDL7EqxQ+16rTv4kXUD8EV4w/E2djPmHbxL9ahZa/R0fEv+e3B7/cyBBAZIm6Px2V0z9kQLu/+yu+vymeZz90Xqy/jlJrvkcZgj4x4jfA02zXvqYNhT+IW1nA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9d37508f317f801c45c45476003d82ad
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/pS2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2nRUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Wg2JPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xH2Mvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7Z6MvscRO79K79u9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "RFK1PszeFz1lfoe+4dRWv1omBj8unoq/FbnVv9qlKD+T2Ao+zJoTvzuzKjwrxXU/RUvAPtSIsj8wSWa/pA+yP8hkVr8zoQK/OrGZPv/IE0ADVKK+qqeBP1WQDMAH0ia/NaaEP1xiuD/4KeG/vgKgv/C2gD5xBQPAaRxZv75fg78KdZg/3HcewOlqMD3b47Y9G7V2PjFKFMD/Lra/5bc0vne8PD8nuw5AucS5PQpV4z/ibgFA6NcjP/ngJ8DMoZM+6F70P3OKL8CZR3O/+BYvP/UbeT5iZCxA8yV/v7xaPT+XFz1A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d0744162cf2a58b6685a466f673a5dac
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2rG0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ag5hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "huUPPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "soOCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RfV2P9ie+T7zjlM9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "FmQhP1uWpL18Jg4/AeEBv04WYz9f0ms/TS1JP4b1Vr9nj6s/v7cPP4VvHb8x0Um/44rIP2mykz/1aTg/Ttvbvgin178ke3G/nkC9P1xnd7+Gn4a/FSHiv8+NQT9/bWg/+CrNPkPv8T95np0/nXYPwAb9zz+HmJQ/wm6zv/KPor/5aCq/7VpzvkHXIcBvmIK+kb/ovvPmC8BHeRjAISYvv+Qnr7+3hUTA2bP4PwTTwT+mOni+JMQYQFfZhz+tBLg/d2MDPysTJ8BRHCvAOml5Pp/KOEARR5o/S7Gav3/2PcAfbSDA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ae8be4fc7146854b87650b78ce3aaa12
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7ekDxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mExlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "J1BEvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jjg0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sMk0QD0sLL8CvG2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "sY2nP5wK2T2IayG+PKxGP4zDoz4Z17O/Sy9wvtyZ/76kmu2/jaQrP01WxL0JanE/mATTvtUrrr+NxZq/3g9Nv4ACS76VzDvAfAUqQALdGz6xrTu+EkEuv2wU2j2wm4Y/7YDAv0htZb8J2krAqbhFQDuXJj7/zDk/b15eQAB1tT5w+K6/EWlaQCHhsD+dxd6/GFiQQFAkDD60g42/ANpKQFjDo767zgrA/fKav+txJD9sdoY+51Gwv+MumL4KxwhArsZfv1zFUb/OWTxAshcxwG/5h71oLRFAJiF6wLJA3D35FxlA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 983d6ce30e9362692c9f9514d77f2fa8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iK/Rww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xRpevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vJZQPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OiCJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wW4QP6IotL826mE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "oI55P3s5ub3kESu9Ou2HvWIZhL9OSaU+skGXv+H4n74384U/KoXEviiXC8Afcxq/HC0VP2eymj/gQr++BvzXP7Kp8L4/1Ca/NruyPtnKGsAQizQ/I7k9Pn8oEcD69sK/7j3TvwbFYD/Vt0o+qrBPv3jETj2rygBA+xu1v+ODIMA05S+/gu2zP89gKsCuyCc/PjYPv09u3j9q8na+5IvNP2q6+z8AK1y/9Fc3vqUqOsB0AsI/8VYAwM9ygL+Il58/PhMcQNwG0D/u2QO/IBgNwHUsBD+wEC6/R74WwOi3vj/lH0U/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3e0f2e595870c7804d113348b41c8f55
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BJoAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aRt/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GTo2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "44xRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QX2LPlGIoL6OWOu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "+WlUPzg3Rb6wuZI+6HfRvkLDUz6jIQ+/D8IDvi9rob/hCoA/qUihv6l+T79TKJk9Tv2bvvXVd7+NXgJAXQl9PpxgJsCBP3g/wNOsP1r1Wz8qNJw/HqFGv65ffr+OPqK/7n3QP63zJb8Krpq+6ApfPlleOMBBpDs9rTUVwBfUWb9z9G8+RKE5vwOawz+cMpm/yVojPzsgwj+BH/k/QIUrv+/SE0A37t2+R+McQC+ngT/k8ps/KwwKPpz78j+agRTANnLhv6nEvj9+Osa/EdYfPrHEkj8JOEDA6b2LPymHAkADugDA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3ba3f9a93d284a4717d3a920c3905928
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/aPuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kBV8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vjLvvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OC9evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gnMmPrXDr74YJnM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "TZlLP39R0T2Z6q29laYNv3fuKj81K+I+4xmYv5tlej6b2Gi/gvB5v3t2VD7Z56s/lCsjPnyeg7yuar+/DC1Lv04Djr+BQai/0L4Wv1l2CkCPJxk/0+yivji2AMCl8X2+52hxP2+Prb/esLw+nwPtP9Zo5b97IpO9iYAFwEfEKT/nAq2/8HSmPrZQOkCjRLI+DYrUP4S0Pz8xkFg9GHBuP3Voxr9U++I/5gPgP/Sbmb/S4ghADGwVPwHpVj5tyB3AT5iKv8HcCcCpQAU/hfXRvbUNP8AILDG/3jvIv8boI0DLx3U/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3b8dd51aaec05be57dec9728a7052efd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Zq3Rww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AB5hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6j0VvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hs47vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UrgePVQ6QL9LsBi+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "vpVjP27CzjxJJr8+X3igvtBpJb9h4Rg/ONvZPoyAAz95CIG/IOFNv7ldzr7qzUS/NiT5vjTs6b+qmrQ/A91QvwbJpr9e2bO/7f0KwBJQfD47WE+/C9f0P7eaYT3Izo0/nufCv9A49r8lkd8/IrEdwF3rkz8KocW/YGlDQEhOVz9Ioy4/RQg7QPL1qz/7S5O+aNUhPrFC3b/XSBJAjd9Rvq+vL8BYcF8/TH5RQHfjzT9mabc/VQM6wA8nNb71hrS9rC18QDyiTT4g7x0/nw85PsZbyT+/t4u/ACOJPyS9Yz5vDuu/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e42f472857b59b59b1b6bdcf842384c8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4I/Tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dcl4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OxqHPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SSuevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dVlsPmXfhT6dhe2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "7ZabPrrGk731hDm9EIpuv9yQPL+RChw/qyzKv+MKJj+jNjY/+EGfvv0Bpj+rWwg+Laouv47dkL9Xg8w/tGDMv6S+479S9X+9o6KNP9BxF79iIJu/cnjNv0E1rT+oHx+/JwndPzbq5L6QiCQ+8M5fPqUjC0B8VPU+TxH4v4Dotr8KiGS/JBlhPy+dy7/7FMm/prC0P8Nh/T2CEPy/XUb3P11Err9rJjg/8HTbv5sLTj/QGse/75QMwONdfD+hjcQ/zssHwNmrE0C5yx2/N0snQMePGz9AQNA+zTZcQLa51j6Hbkq9", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1f884cbf7533c5991329df1c6f1db1f9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Uz3kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "woZ3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tI4qPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1xeBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yCTzPlqBMb+yLoa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "8wr0PogqHT7KVx+/6+Yiv1TAO7/gNeK+pFODvwkzhr/ggWA//vOUPnswij/s6Wy9bcSTvjii1r8Ho7E/TcX2Po7V+j5VAwfARGkjP8J55L4pDivA9DKgv0rsCz486dw/8DQ9v8njmj9ijR3A6+ayvyUCiD/zwRlAKSbFv4vkHT+DOBHAl1hBv/94tD/pM13AO6bmP3lr7L4KrzG+5sn1P0t0ub9AbSG/fh0oQJkKMj5TRAe/MpT7v54jzb/4Vks/81rxPygILL/eZJ0/aLDrP/qxOj4iKNY/54+rPxbAkT+6GRTA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5ecd0b5f29f6416ae984fcecd54f77da
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nRfcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uydvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VDsDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5lhOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lN5nvwq/ND9Zhpi+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "/scSPze/H76jMb68iONUvy4uQb8OIBM+vvfgPmjcaD8JMoq/P4rIvzvdkL5RhIy/ZlgBP9yqoj9pjLY+AeDoP1WzZr/z3oA+Z+usv/ZJbz3xva0/tuhgv58rKj+hnt6/1BlHv+jkuz/ZPoo/x3yav7HMmz/XFyfABd0kwBflGb9Xsaq/7HCkPyVIoz94z9O/oBzvP7T/BcAYyOM+3NO7v947BEDF4fQ+T7IuQO6qhr4j2Ig+69QQvypaAUBVo/8/Mp5Uv2jA6r/f2pk+FQtvvwFjtL4CERJAFjAcwAXEZT11kLk/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 71a0a71405308b86a499488a64f2afab
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Tp7Tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NNuFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cJQ8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TJFcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GeLsP9obnL4mAQq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Mi+uP1kSqby5b1Q8wYh6PvfUCz82pl+/Q/h6v/PSOj8q+AS+cSwjPUjiP77XZNW/fGdRP1rYmr8CqEI/wNgMP2Qb8z/yWr+/BWD5vi56rL8NIIA/Yly5vypajr4SVic/Z/7RP6tqPz8qBkA/LeckwHXNbr6Bl4k/QVlnv3YKDMDBWMU/ZSMnQEkXyL6u50u/9tcXQO/Njr87bMq/VOlDQGyv+D6mPqK/dIFXQI5LV78CPha+u/VHP2ekKECwMDi/NtayP2+Z6j93mgvAINyivhc6EEA9fAPAkFzDPxWT+r8w940/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a5f35eee5a31f76f346f1bfb278d5fe7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9Y7Tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/fWCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "F5xBPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3gKJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4V0OvyfChj0TRB0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "1pkDP/VGKj2BqWi+ub2Av0uBoL7YH0q+PY56v2MiaL1RSas/w/ObPv5dYb9t3oA/BbdZv+pEeD8Ur9Y/DbcXv7a75L9tQOA9Vc1wP5eUvD/gW5y9XmLIvRrIFcCvSS+//Xzxv3HpKT56WZO/X4WIP6Q1m78gk9o/foAuPwkNB0AcMGy/2pijP91ZDb/yRKK/HKuqvx7LGMAUwCQ/u6PRPyff/T+0224/JQv2P8wusT91beU/Le75P8dbQUA063A/rW6FP8P7772qEwbAZ84wwLA1Sr67o3u/t87dv0AqF7913/U/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4a5b7854dda5220ca217aaddcfab945c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0ZkAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3IRrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TMIFvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SRRKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xSDwPvfMkr7qBHS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "cO4PP/9ufD06xyG+EqASv1P7k72Jz18/tpoNvwY6zT57ipu/e/OHPwf9wT+xmru+mpfXv/2T+T3+zUy+Z33IP9n8h7855n2+RC8fvyOT0b4YiAFA/uQfvkbC6T+iRpS/HvgYwMLhcj8ulm290AkUwEJpj78Gj+u+fVBfPLLEEEBikQPA+reHP127AcAtM869Ei4rwApAub8/nb4+I2sAQBkOib8cJqG/BqQjQBLTVL/Opj0/kbdDQCoP0r8iTF8/pUkhv/xqrb2uHgzAG0aZPz95CEBVngY/+WL/P10iwz84NnG/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 222605502698bcd58e77378da306c651
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eZe2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RRJdvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CFqBPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pN+Ovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "x4DsvREBB7vByiG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "7GvSPo+rdb5PrNk+UEY6v+kMMb8TRgC//YKwv4ofJj/0xKW+EeWWvoQAjj/43Aw/A1rLv2Bl6b+E6hY9S8zWvpM6ar+P68O/ou+FP0X8hb+Xuaw/gT27v47Blj+MO5i/mSnCPrGVuL9nAfY/YD+LPyJRfz9j3aC9Qka1P9aDpz+PtsK/rBb3vwQnzb822YY/rkj/vu0C3z+uIbQ/g1LtP8JEpz9lbiE/g5UVP8QYij/wWQzAiQSEvzIJMcCnOD49lAkSQHGQOz/Ff+6/YosewBll+r+c/hW/dXjTP9SyF0ARm9K/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 32ccdda26f5d21e7c963bc4361d1a8e2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SAukww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "429bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "FTqvPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Jldxvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LpAgvcDsnj6hZ6M+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "o75VP9a5+r0f6kQ++630vqoqd78VLEs+SgrFPiR93D7zeJm/K0MpP7plVD8hVas/UqVVv9rl2b5QypG/UQz/vlPmJz+Azfw/C4myPyesyz/Bbco/hHWnvz0s+r7/xbQ/Q7NWv8kKoD/SPDRA7LXav+ZItj0RspO/n+XAvmaCA8BqWzo+k8wsPj3FwD/zBpW/AJijPyyM/D1U9xjAbXvlP3WQJr/8K0E+MGEUwFmwOb4G6o0/aWa5v+GLpL/04wlAqyrCP6eRcb+uXBvAorgNQEyKMD/fTBXAz+lGP69Axj4t51TA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a42011cfeb5eae067651624284002f51
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6hW/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QfVvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sK+VPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jGadvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tcMfvspUgb0MdsM8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "QaxBP2xnnT5dauu9GL8OvyT6hD/fX3S+VqTHPr60jb+oJYY+J+uKv2X1nb9rVLg+IrzWv9NP5T3kdW89vDSIvr1Km7+4lss/B4+1vwBJBz8xB6u/Stv9P4eaez+dxt4+Lg0dv3HaBUDKB6E8s3PNv54WCcCzKZA9OpyAP6NO97/FGaq9bxYlwArK4j6JYBA/ZBYnvqiWCsB7pPc/NaT1P21MGj9V+YK/Hsv0Pz0iAkD4ijI/jIkFwFcvoD84Esy/u+YnQFWRzz5U5Ys/AAvmP8/GsT/5S+G/030hQLNqbb4ejK6/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 192500652aa9dba3b367331b56bc2722
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fozTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8IlFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TFRvPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gq+Avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5ujxvbQCQz+tad48", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "sCbxPvEKgb4J82U9JXByv9t9Jb/8Wt++QHWGPk3Wlz9IdNe+RmiVv2CfSj8wZWC/ehACwL2POT7wKVA+yc4IPxTaXz9pkYU/NrJoP//n7T/MDnm/vV7LvwDBkT/c7ue/AXSXv/Qb978Ohpa/jF4AwKDuAT92Op4/mIw2vrW8hz+ALOw/udvAPyF5kr8Zb8S9+qvNvqDVBsBI4PW/3PuXv9VsMsDD+fy+OoYJwOHX87+sUNi/gB5CwKYFo724SQW+nHgQQFBkRL8DHcU+WQvwP3+ahz+XOLg/ciIGQGJE/z/JOrA/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: efb22c6a094b3129bf22dcae4ddf4181
username: gastegger
key_value_pairs: {}
data:
  {"energy": "bfTAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XXB2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UdpbPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ebOWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JV0bPxYwkT5mg7y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "qfFZP0JXE76pIpo+dQKVvjcVHz/iAF0/fCunPvh2Sb+gDoC/4k4gP1zlhL8wUcY/JqicvhucsT/kMwK/5V34vo0frj6QtMy/tRGUv1kDdr/8f5+/EH+EPzparr8TIsu/QfumP1Tloj9tuoi+Y7zZP52d+z+RqvM+ZwTsv4Pegr/jlNO+cC/0P2zQpD/lrJa/fx5Iv9ZAEb9S3cs/3wVLv5rfFkCmoR+/OY8tPwW0B8BZdrQ/S0TvuXjSqz+JS9E/MZnFvulaJT+WoCjA7VKUPyUsPL8uTh1Akt60vwISzL+VwwXA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2ad28947fa58267e89ccf47e26dba07a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AUPkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Easvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AftoPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wTo+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xAihva0Xsz4KnQ+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "SxiiP9x6Ur7CQ7G+/2HwPf005D3lnJi/9Zfyvq9nS7/Xx6m/tNQ4v5GHnj+wtS+/5aXuvwSAhz/FEYM7uncUwPwq6r1zIhk/DpE0vt4KIkA8kG2/HzsewKud9z9mBW0+4EsAvNsCLUCiLfW/H1JGvxY1UUBIrxK/d5eQP4DImr9sxAc/SxMUPzzQxD6GVwnAirTcv8WWbb9glP8+60ZTwNWhob7OkPE+XBMBPsZG8L9bOio/k4EZQAnus79OXak/hi0pQHeR+L6NBu4/XsZOQBlKz79R1CU/lRgRQEZyDsA9ugFA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c6d35a99e99d18b70a9687ea469ae79f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/hfcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KsRzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cCaGvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8rAwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "I9upvzvkZj5nJ9O+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "7v6AP0lARD6QQma7qboLvrbXZD/VeSK/5KTePkPpSb9ihYI/d1Wwv1t4ID9P7VQ+DGamv2juSD3PZ5e/U/XDPa4dD0Bv9aO/nVenv68JsL939yK/oGUPQCDR2D7hd0u+ltaHv+M3R79bYE0/Y4nTvy1cl7/pSM8/7Tflv7b3xT5jpQXAobkRPxZZO0CADxS/atKLP25Pt7+mZOY/924yQB2yKb7s3+E+hh9DP1aoCEDJDgnADSQAwIdLsz8dWiI/2EtYv4ByK0BLds+/d/YSv/PYBcCFtYK/QmETwEPl6L8YQTG/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 342a95905bd1ca5ec980a0dd5d9f7bca
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gp4AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TYJXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "y2nPvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FJU9vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "96+wvxIU/70z3MS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "xuZDPwxslz2lBd473j66vqr2Jz8nLVq/xWzHv1y1ar68Owi/6empv7n+gr8Dmw0/VxMTPYgIXb+DA4E/A/0Rvx3n1T9pbAG/ODcWPy+jr79/Hvw/gLgJvndtTT9Z5g/AFTQCwIdR2b+QcYI/yRspwFfe7L25u6e/bSW2P2PoDr9gqB2/pI83vhLKmb3NfSnAtR7AP9GsjT9x0Rs/mG8xQO94NT/fPIw/qd4rQAIoe71SFu8/EMonwGxfCj/2hATA4uJfwCsOGb/O3Y2/CtpZQBhMqD4cG44+IH5PQHDNzD8zHsI/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cbef423ac5b0b062d8310a0aed24fe02
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Krf4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dqqEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bW83PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZJibvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fldkvsmw6r7jNlo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "RaViP3Xl6bw2IN+8qB+Bvgf3Nr/74k4//EB8vrcDIj/P+mS/GIOev0uc276sJ7u+M4fTP2a3Zz+0/TM/GwikP6wuaD+Ntsw/JmQNwClknbznLF69rzcYvxxN8j9hXbW+VMyuv7Wevb8VyaW/oZR2PlrcEUAMvEW9c7PkP3Z1er9JM0q/8PGYPxQz1r/Z6bG/oOXovwLTDcD2ZF6/puzhvXQeKj9Prv2/tC8Lv2uIBTxCC/8/Mvl1v1i/Vj/njNw/XqDRveyA4b8eAIs/2isaQLQxxr8owr+9V4ccQGhm1L6rd7q/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f8e05791ebf52721e792c01cec145365
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VSDmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iLtqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UpxjPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TtGRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OdE+Pylcjz34wuQ9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "rkVZP1hb1z3tC9k9ev4Cv4ouxT6zeT8/3NfdPnvMrL/2T1w+cctdv/zUg7/ByTU/uTDGvrNZMD8oVeY/BTTAv/tJqD/W/ZQ95e4hP6WkPL+1KJK/XYpxP1MPD8DogxQ/T5Tdv+I6dT9UAm+/PldzvsumFb+jFeS/7zjqP8Spg79QnOa/4qviP+gk9r9T1gnAYgEIQN2RVD9SM9I+qP6Cv3d4E0DMNNa8bL4FQGgv7j/wtx89LqEvwEKksj+wHT8/7ZElwANo2z+hINI/1OATQFZ8Xj+Ukb4/gRM+QFzxqj4rTI69", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3cce0cb861b012fad9e260307ccbdfec
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RUPkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Uz15vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EticPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "K2yGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UU7oPxNEDT/rqGo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "fHHEPxGi6r2hdae+ir/fPvbpSL/3bZm/bvpgP3F1nD+Gci49cvtgv3wzwb5hQ/q+R9vqPrr/r7624AzAVwwGv79PWT9Dam0+h70dPzmYCsDYAqu/WbeZvyBflL9SYFQ+vbOKP0z2G8DaKQe/HyHav3wMTb7vZ5e/m2XpPxH5gL+nxEw/pJ20v9lfwj//EYE/hMiQP/IhaL/grMQ/bM50v7XmGUAHhr8/eJIkwObOmD8ed5U/36kuQJF6T7/7nJo/6z0dQMQEtjxUI2W/FDt/P7dH+T9PZUa/8f2lP/Es1T9RYXM/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b841a8418014ca17cba5e9924e25658e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MNsExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "J71vvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2IHzvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7ExRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Vn0Wv5IiMj5slRA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APwFRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "sDX8PmT40j7Y65U8ciskv03Roj+58e++7UDzv5YqOj++6a6+cihlPuVsh7/6/Ic+9UYKwJSeCL8eNT0+XHW5P5Txlj9F03E/CeP2vu9/GUBPmWe/DcCYvx9ysr+u7AI/O4pNwNn7Q7+xKJw+ZVtuP5YQ/7+NEAq/wjfvP13NVz+bDeK+mnS1v8oNGMBLWGc/QDWYP+ae87/ptmw/tQDxP7xu0j+yuJW/e0oqwChYqj+AiB2/PUklQJl7NT36oBu/NiAFQHUOs78juHk/THCWP+0zDUCCrpM/vqnuP07aIT/JOuQ/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c8b266dd3a7c8023d1b874c98403411e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IAWkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NUNavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ICahPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ImuVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Nsi0PsJpgb5LPKC9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "h0AyPyH2aLx8/c09M5gCv/1WIL7wImu/5FKkvnabfb2kyp4/4ABfP7FZtD/zqv2+lZq9v+XCZr4KaX8+JbelviSlnz+aqq+/hvgTv9j7aL/hzdq/e8KnvS5epj/HtxbAo+SNvwvJq7+Y5pY/vvQcwG9tgj5bDIc+fH33P6FYYr+ZbC4+NJIovwloEMB5bEw/DhyPvibyCT9GKQlAJnDlv4CvwL/5UQBABATZP2YN9L+7YfQ+ybVJP76HD0BEOFg+gh7oP3Bqwj+huIW/gE0cQJ3Fbr8nV0y/qHYpQGUV9b5Or2U/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5d2422646e5c433c6cf38326f78efd32
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vJwAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PBeGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0xGAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jiVMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "j1NsvwxZkb8/jNA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "SwkjPySc970MasO7EMkGv/fqeL9Azvi+C1PwPuc09b6l9rW/TSPqPuzNpT/gBwU/8lP4vtaRAsBiBo++7vHfP538Y7/eiiI/EnuKPYAKpT6J1fS/Ky30vyxOv74klf6+eUH5Pxze8L/6sjM+Uc2wvsUQ5j+jUq284GAwPpV0nj9mTso/IUXQPy9MBEC7p64+sSkJwHUcIj8SFZG/JI49wITijb/3t5c+uIQZQGPz876Ensg/+AsTQL3u2D8zSm0/WIEowOJLn7/1gqo/FExHwOj/BsCzLPq95qF5wBJUDr9b94o+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 704227367b1e632c906c24e3cd12154d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AZXTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eQVyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wf2APA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mRKBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Nsgcv5hpq76CHDw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "n/RrPtUQkL4xspK+ZZ9evxXDqL9qEpK+45ODvqmngj/Q64e982PjvxFPi7++vGU/oRvfv75NPD3N2cs/Dp1Vv0yNlz+nn5w/xKgdwPIG8b/+NJY/V3syvX3vpj8T4/0/lciyP9+ylr6MdJy/m0zPP7IGFb8SFIE+/nHtP+TWy78drxE/2yu+P4O6j78quPW/jP+4v2zNob+TK5y/Ez4YwI90Rz6Gex1AE6IGQOQxVD6hR1E/URjhvlzSFMDo1Xy+xNaxv2ooCEArzJc//pPqP17dZz+BheO/FZ2hP71bzD/b7bS/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 41ae544879a2ac29f45e6a63bf1f7e69
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UZTTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jnl9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YYvdvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ishhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "c9cSvqsEG7+3RRk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "xPh+P6OpLT6yJYa+2h7Cvnw56L7rBg+/yz8pv0LD376Y/oI/hn08P7wbyT3Y258/FFXgPyIBTb+V6hk/aZ/VP48Xnz86/Ii/sot/P/VwBUC3yZ+//ce1vyjIoz6aSqA/nQmAP8FLTj+1ogFAzilvv5D507820dQ/ZRu1vqNdvL8Oi3a/SAW1vz01sj702qO/d/3vv2dj7L8Amcs/oAW0vyVVxj9yLra/t43JPzt27781yQo/bUQyQMjUB79yhEs/W+f+PxXfWj80xgLAMJQRwD9ggr7n2dO/5twjQOmVzT8Dugy/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ca2764bccc2fa221277aa74692342f28
username: gastegger
key_value_pairs: {}
data:
  {"energy": "shXcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LXl8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "l+QAPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KVmOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YOVQvSgscb1eLrY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "xeBuP/NFQT4nAW0+9xNqvqEcI7+d+ae+ZwnUPkycuT/jCYA/5ySJv1aoXL+mXU8/vCC8PglFHD+8hRFAqVwcPr/DzL+C5zO/GEIFv7ph9D/qxyk/aWOXPyazAL+K8sw/EEyLv1T57Tv8Dra/gtWXP9kQDkAzs4Y/wfN3vvUaPb+q+/k/XG/dPk2Yej+KpFJAj5m9v3Tjdz+/HIq/iqyrvjPjUz7xASrA1q8Hv1fzsb8yLjFAe+ACQLXmiL+ldPY/V5ORPrJpuD6prmfAgFP5vy1OI7+IV9C/JfrhP8Txpz7OWem+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dc1c5d6da6763514e0b0926f0dc83da4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FLPRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "B+6Ivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mz3Quw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ea2Fvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UicwvyDSLz4P1qc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "KEWEPy0Poz1N7qQ++ogpvvCOCz/MCpA/3AJLP+BvVj0CuIS/Y5PZvl0Qwz+O9jI/TAcNQKE3YL4ZfDA/HzUTQKMA4L14LNk/oXz+vtWjFL65T7+/huWuvxOWyr527V0/v0euv1I+db/7ohK/ikpdv2dphT6FbijA48r+PS54OD9/PidA51irv/FSnL97vco/hJISwOybID5dNIc/0ipxv9ZD/L8t4xC/J1jXPkYwab5GqURA7SMXwNt4gr/R2X+/M3prP260uT/YPDJAbHLTvZcnQz9eBEbAMyhFv3t7iT/WgkhA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 63d1ee30733d210b87b3e9c2339d667d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SB6/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pKiDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zekyPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8j+Jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "X7WCvyno5r4bnh6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "R8SJPxfpQD5jXFQ+sPMFPkZ0aj7ZZac/QcanPnl/D788VGC/5aIPQKcXKT9auD8+J26av9/WaD61ah4/VeV9v0DmhD7oxmW/2DFkv2UG1D9itcC/YHwnv4Vxhb9335A/684cQK6pjD84cYs/a5yovV+s57+2IXO9MN59v9jqwr+4pgJAXIZZP2rKNb/IkOi/amBFP4kjHMDoulM+x4fkv0zVnL6zN7O/bTjHvZmFD0BGdoS/0UT/v0rISD+ORY4/JL5Vv3xDG8Aicg+/B0ktv4buzD966STAjIXqv6znDEDX8bC/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c5f9d112ab20c3d9f1754c1af9dccad2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WaPRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "sBt2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DTRfPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WvSWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0LgQPrSTgb2+n9q+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "qalPP3CxEb4KaRa+fTCMviUx1L6rw1E/qhR5P6aBID79C6Y/R/rXv1mlJT6aVWM/R0xiv+ju279dnqg/C1AIwCiK/D7763K9MELrvxLHcD/b79I/lgBSv/4YJcAXXyQ/kIxfP2QmlD+6Rrs/gOMMwAIoj7/+k6c/qjUvP9Tadj+olpG/o5W2P0Cber/e9vW+8hz/u9aT4D+Mblm/TbEQvxz5AMCqtBRAWGNfP3lGMT+5ciXApwuOP0tQp775TDjAdh7wP1cpvD9b2uu/LFKdPvaEoD8wo1TAQ4ArQHS6Yj8xoM+/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 38d9be5ebaab11a4d985810162b83f1d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MI/Tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7pR+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Yf6KPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Dwqivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WJCGPmizmr69Orc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ejd7PpAgLL4g0BW+xiGTvwQHC77b4dE+6bMEv/63vL8qAWU+kEYOv1zI8b9h7Z+/GPBHPk/9E7/tkNC/UD6bv9EZMT5N6bk/q7gQwPhFYj7hsri+iEIfPZ8BMsCfurm/IUQNwHcSlT+77wu/Uua4vt0ECcDgN4g/RdzGv/wzAcBVJta/cP+1P6wL+D5QxvI+hoYYQB/Bhj3Rsy0+rSqzPz5emj+2WOA/60apvjzf6D1msRLAMsK3P8qo9j8mUwY/LBjzPp4/pT8sbhRACWiYPxqgRL//UgLA/6wTQPz6nz+7pBZA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 13c19efb0d5ca076a2cbc5126fc3568d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pCbmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OpZnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7kLzvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3C1Jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iICTvmKhBj8ukBA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "c/0cPv+ghD6uC0m+FzHnvmdnBD/uuri/i8BSv986Hj9uXXc/xFp5PU4xm7+gbZg+XGvqvx8zOz9SVg0/bZhiPsGC8Dt4jiXAhQvGP5frXD++ijS9yG/WPlZwiL92uh/AOYXAP3ta9z9TQIe+Wdsev3SxSr96UM0/zRvAv3iHrr8anPM/OavZvtne3j8dNds/nZWNv3QZ+D8wNBdAqDyVP5ZgCD8xqjHAMmS3PbVoQr8g+RtA0TOiPjhNEcAHIlW+ay/1P02pPj/aLno/iVTkvm7cNz4SulvA7VcQQAY1wj5Sbzi/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 424d404b13ab115a8d2d921041659fbd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "My3Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hQhovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/d07PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AoCLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tMgWPtUmXj/pJgm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "bgpHPydKoD5IeJE+VpLFvitmaz8LNos//s4NPuWwBz7AL46/NzyJv3lx+j2g0rI/MfJiv2napT/A15i/APViP3e+Oz5eAvS/nCv7vpprk7+tsaK/zSiIv4sr7D/o9ic+5YkcvwwBMEA2W14+aP7GP7W4ij9WmzQ+8Du2vwI0iL+cXoa/vKW4P7e5br+e+WA/eiwJP7qy/L/LzZc/RTHrvxRbaD/+HMu/Dx2NvaPduD+08v4/CP4OQOUZpL8C7Eg+nhaxPc8YC8DHArU+zab3P+ENKr+b9Og/qOkPv1jBBEBE5/G/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2fdd6abddb316587345e9c22feec7ad5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z6fRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+dxZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "M8CFPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iV6Ovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "waikPWCwmz3AIdQ9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DXh3Py8nZ70vx2s+Zv/XvravIb71w3g/4VqSPtsHPL9amHm/NeZbv19wl79i/9y9uv3VPzOWoz/XhsM91Yypv2VDdz9Z4T4/2ANvvxLk6j+c+4s/IEn2P0FUcb/Uu0w/fw/Dv9KygD+J0Di/XrSMv2uxmr5yGJ6/Y6KCPxYZA0Ck+aO+exvGP1hM6r9HXU8/s0u3vi4V6r5DNgFAb653v67+5j//65y/R4BNP5/aoL90JuO/bH8lwNG6kD/Qz3S/1qawv/sdCMC+a2q7CwYCQFFazj/TZ4k/9o0iQCI+lj9vuA+/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 38518577a1d2974a8c3902d0f061266f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ISTmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "i6iBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jc/kvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JLdmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5bg7P1lM3L7NHpQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "VAVbP/XPoT5J+gK+3HvovjNx8T1cFyK/xAd6v6iVJ78TpEO9ttteP0KPOz8Yt5k/HiC4Ph1h1j/4j7M/ZqhSP9qYkb6pTxNA6EeFv7i2hT89BQy/exRGP5Xqqb+pkf4/dTiqvufSmr6KHQbAaVgHQESZ4z58af4/L8uwPdSJUD08GVxA/rcSP59Tfb4Y34ZAF4I5QPY47b3T4L4/tv62Po/1k79ZEAnAbEuWPbJBAT/7VC3A6bwcQJt+mj8bpCtAwDjUv4xVQL8wgCrAZaMJwIVRyb/+6wXATSwLwLiflr45s2nA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5dd4552ee65dbb4cabbf9c3501716d47
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+Be/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "++Vjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ec2ruw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "j4devg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7dORPqMegr7xndi9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "bpIxP2vXHT694My+dJXZvj4y7b59zuQ+eNIMPubPvz+T0kC/bzT9PuB7g7+ferK/0nPaP6BeDL3INUU/FHn1vtuC07/riOS+hZLGv+snFD9fDec+8t4LP5f2Hb80m9M/2Heyv6n16r9QDVi/+kGRPZrgN79b2BbAg+0IQGKPZT/oRpI/RGiFvx/C3j8miaa+qSMqPy4CEEC4sau/ccyvP/Jz07/+9cq/KVIhQOXEOr/A+A0/0bwuPyb40r8fmv0/95CVPq1crDtp9yBA0Yvpv4iPbD9qK7o/BlIewCUIYD50CaW8", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c69b72e386122cb15b7d5be41c919744
username: gastegger
key_value_pairs: {}
data:
  {"energy": "riDmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NPN0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BRhWPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mzyVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SP6APqpDTj6fsEQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "gBFpPg7DKj0PRkA7WM+zPcXqD7+WS2O/PGRfv3ik+7xaYIE/R7J2P1WdqT9yxIu+H5rVPzwRKz4DINU+sdTwP/Lbjz48fr0/w8xTvx/QOT+WHOU/cbM3PzcYDEAGtrE+zpAQwOo24b4wyRg/DYUlQIlFHL88/Ja+XQG3v0qAsL9Tqbc/4EZZQAhDz71DP9S+4zkdwNNTOL8lS0K/kiuDv3rgD8AGVm0/43FAwEDdwL+y41O/svhFwNxZiT28Voo/spieP8Yxzj8GM86/xmYHQLteAECoddW/ZEXZv1soxb/1SB5A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 158f50133143c5cadf0f5497b4974d3c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "l5q2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Pstjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xM6UPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UBmXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5iI+PsQI4T1JSzU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "V8KDP30nSj0PUlK/GeAVvYSNwz5/A2k+O0FYPqK3pr2a4QjA8eWrv2DsET8WJAy/nBQ5vSIopr6458Y//NiHPhZykz+Lv74/G1V7P2gAn7/Y8OU/LkemP43ojr/0kSxAc3Sav7X+bb6yZeK/DdMOwEGpjj7gip88IfSvv7Jimr/FyMO/ORymP4p9uD/XotQ/BGS7v6fxzz/ho1S/MjDFPwCKYb9gDxC/KBuhPuLqVD8bIC/A8B+CvzqnHb/icfo/norxvp2L7T+gwu4/HlsIP3mnar+D8jDA82blP7xkVD9vqWW/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b57fccde9fceca754ac64c27ed814764
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Iifmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yaqAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ILUJvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Suhevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Kjo6P0yOQ78+rp0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "AYC8PtIQVLzepOa9Md5av/EvcD+GsJO+8eyqv4u7L72vg62/83Xgvix8lL/3g1K/swX4vwj2ED61OxjAkeZzv+mx5L81sLK96NW6v+xrVz/pFyA//nQzv6bKEUDRpyK/gNiaP2ZWoz53zTy/9axvvwpZF0Cprsi/ksRhPaON5L/sdsi/mts9P0PWQr6s9Zs/5pntP7HAhr+E6LI/PkfQP7h/A8CXUYA/lfctQOo9K78UZ1Q/ISELQJ1hj7/nUThAreOoP/pZwb++EFxAFVUaQLEEAb6dClFA9ABCQCZS47+qeUNA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2d604c0596669af62cd8433424730b24
username: gastegger
key_value_pairs: {}
data:
  {"energy": "l6Duww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9x5uvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "48EWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fm5Ivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "G7v0Pj24y76brME+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "GpuFP27ZrD5ET0m9yuypvRg0G7/Sug4/0cqjvG8nuD9IwYK+wgEoP2O9e75fr7K/WiQqv5jP5T1B/TK/eYBOP7fz2r8tOaS/G3bhvtx97z9CUyc/A3QFQIzV0T6Se4s+nmhcPgFaGUDyd5+/ztWVPib1AcAKbhY+9o+HP4u3HcBS5ks/if0WvyNnzr7AQ/k/IHPtP3qt/b9xNre/oEDGv02aiT6CIRBAj0nJPRIGUUDNZFu/9ZHQvxpwd72/zZa/S5tfPhOPDMAmLgTAofsmPN+Za78g1S5AHTISv67kLMA/dR4+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c64b766ff06fb24333791ce93dc90c4a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fJvuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mWFTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "58dfvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "n28bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0m+DPwa7qT+/8aW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "+inVPrTBRD4OmZu9ytNCv1BFRb+HUwS/Hxk5PqsO1T8PEbO+oy0fv5/x3z9C78S/4EmTP5FlCUAfUgq/0RNbv9MVK0DGONa/y4MCwAqUk74q0xC+OkwAv00xGEBd2lI/yf7HPycnWL4HAwE/VMq3vwxH8D8Xf4o/8fgOwPTo1z6MN0S/wFrpP7sCxb/p6Wk/1iMbPrx8F0Dzqtk/e6IXQEKf+T7xtzM/kak7v9QcYL8kKc6/1hA1v7k9W0CLFhI/x2KkvlRq+L+P8WA+vzdNP874FsBWlAg/8N0xQKHT7b9KB3E/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 893aaf0a70a5b99206d17f9f35b63420
username: gastegger
key_value_pairs: {}
data:
  {"energy": "S6AAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tTWCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4+NTvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cXJPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6Lwev4EElT65iJ++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "wwKHP926/z1jV5i9IDENPvdLJ78qN4a/PvRwPl+8sT+d7Is+Gzmdv16obD8I8o49oceOvzUKB77fZWy/1AjrPnRjCUCSt/e+nO3/P+W2pj4UqRa/zWWsP4w/Tb84w4o/k7fSv74CDT844YE/+s/4PgmL/j/assE/xL7vv8bJ3T94ppO+/GsAPz94oz976wpAwBr1Pgazyb+HaOG/KhNxP937I79Gww1AdWr6PwYM2L83XVE/D6UQwNyQLr+d886/sPE9wFwWkb+3cWm/+Hzzv85Pub/liRPA4hEywE8/zD19aQvA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 85e6dde6890fbd895067e2620f78e2cb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Bifmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nYJ8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "e5+qvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ri5nvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2Xclv0HUrb/OcHs/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "qYEmPyplQD5bC4U+2EwGv9XJmT8poXg+2FG9vhMugL+JZz0+iSXBvwiWDT2r6XG9snFvvXig7L+rsGi/qS7MP1Gkgj70S2u/QzfJP93Gjj85yOG/GqjsvyZEzTxkZoy/EgPdvufz9z/YQw6/+0VFvwdCH8AmY4K/JegVQF+FEL/o1HS/naUAv6Ai57+GY7w//1qgPwmbSD6Yk5Y/vQEYwBvn4rxKDBs/1Nw+v2nB9z+klrY/V6Bev9qEqT/OPgpAlAIvvwBdlL8ghBVAJCHRPvt4GMA14dM/lUasvxoxIMC/brM/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d1c049630e977628b847058d4ee11d44
username: gastegger
key_value_pairs: {}
data:
  {"energy": "B5LTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "I4Nsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "09yKPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xviYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cHcmP23Fzr7Chic/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "klisPs9Ii7vB6Vo+k48Qvwtjmr8SaqA9CCCDvlAwhj8kOjq/aZvOv+7eJz+gKXa/LAx+PxSsxD5TNsM/DL3fv2koOL8dTTS/Y47oPzDYB74F0b0+7gWYPr32iT/hh9a/y3L3v+UTj79Wwzs/g+r3val7C8BV4Mq9XHaGvkCPA0DCtpu+HqkOQK+6kb9tneo+NZgGwK9BpL7nhLk/ZmINwBhgpL+sC8G/H9klQC9GQj+lrsK+BmtWQFAUgz+7SRk+TMEcwKsbA8BT1XE/nMFYP634g77XyxhAT/eIP/zduD+xYt8/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a030b21ea9983c62dd0f777aef6df4f2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FKvRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZD5Qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "e7wQPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "g210vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yxBPP4y+Ij7NWJQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "+X1UP6+PID7T/ie+yryUvg6uKT8DVy0/0plWPucSGr8/x6u/qs2jv0N0575SKZC/TNMIPx3+0r+BCKm/au0CP33VzD8pnSi+urUJP/bxLr4l6BLAw/qXPxqQBEBxdeA+/KPFv8GpYT61qpq69iEywOfD9D540AA/0ncJQEzkmb6h1tQ+crwBwGmhUL+w4ui/YRMuwAaEmD+bkJI/WZluvgPbPT/0UOE/4u8aQP3YxT6FYZ4/uvsFQIXq2r/2zU0/hnk7QJhRSr4pBLK+2+W7PyTp6r9HAcw/ropAQPlDAsBMcow/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: db472472ef4d324364678bd21c914ffc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "h8nPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Y9Ekvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/65PPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "I71Yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iGiMv3EbDb/kSXI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "kBlsPwvKlT3CIw2+z16MPOvBa7+n24Q+Oo6bvyqKvb4wAo0+RBGIvw+EfT8nKa+9u6WFPmxpoj/E3Mu+MMDePs1rE8BLzRs/VMiRP7htFMAOfrk/5uPov5VxzD/zMLK+eAccwAZ/dr9AbiA/MxkWQP+2pr3Jg6q+xzdYP8xOFUB1VVO/CDU8Ph4+RkAIAm+/fKFsP7fKM8Ayfm2+MIMvQGVXZz9DGhS/PS01QLm8576VLRM/c2okQBvwRL/PApS/7uhGwKwZfL+41gq+pljlvpBDOMBevWM/wFc4wLBWBL/VU7Y/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 94a4fbe8c12f748ca2b515719aef8487
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AqrRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3Jtvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1SMNvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "51JMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LnM6POcYKL9pV0E+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "9fhoPxSOFD4/ZD+9dCNAvn++eL97AwG9cOWWvh33lD+TyfI9eYGQv9atzDwfhws/Y1oPvg9Q+D/GNWA/p3Qxv19s6D/C25a/GN25P2HbZj4xlH2/C+GVv8l/jz956PS/5JrcvltsoL+zeoi/RkAGvyvGPkDL17i/nhh9PIhEDcDHaEc/6HnvP6KTjT2jWIM/PJO1P2g3Hj5jK/c/eycjQPn4UT95I3U/beVhPqKQA8BW8uo/Lo5hvRIoXMBvNpI+GveIvnG/Z8CnsUO/NhHOPe4eisCxp2c/iUsFwBshxzrf70g+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: abcc0322b7f89fb7f13be5c5a3793d31
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TCbmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KEl3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "T1q4vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3j1gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BASzv1xabT9m2p6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "u7FXPcjxvz3IaIM9moaTvwjigj++FwI+I0KEvYpCrb8+OgQ/RyAVPYxvjL+rs2+/hZhgv1QjlL9yucK/1DaZPwB3wb9FIsm/HodyvxRw8T+kOQe/QNKCv73o1b9nQ2k//EWuP8jhQz/YboA+TRwSwH+Gnj7XQru+N5hEwJ7DVD/+ekK+x5Gzv3WLxD+09cU/2ffLv35IMz8tcQ5AbKOnP9Z3gL98bBjAUFEKvyEfBkDlv/U/j7qrP2op7j/UlCk9MNZSPwYW4L8w7X4/BEsZQC/mZT4hUxE/6yMRwCFUDUCQ48g/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bc9666b8764f441a3ee9527af830d098
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YSXmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MNh9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VRgbvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GxJXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WJDmPtLjF755Xd8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "fkUFPz3i2b6e3wa9MRRNv78TXr5h7FW/0yN8vtuV0L8uZBE/KmZHPy9WKz9/RH8//j+9v9j/nb/yLKy9RM4hvqaCaT8E/sI/wXqvvu4z079KIdQ/Pz+PPwC7yj9Uxfs+UMvKPYfmJsDy31o+fDUxvyin977H9PK/Lci/v7vFjz+J2kK/SXAfwCQXiz+hX4S+p1WDv8A7CUD8O5m/pM7hPxpjPL8vklq/dlbKP/WUx79vZMa/LFDgP+SYMT6JtPM/Jz8EQCBXDz7l8Le/FNP+P1NJYD/w+SBAKfwlQItbgb/X0Uq+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6fa9c2190313e8b4eff0a97bb3f8d1ee
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kaTuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "B5p/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oWkJvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nz9dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PIMOPxO4NT60H4E/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "MkGNP243abwTAWA+87I2ughEhT9CjNA+4h1pPoH6fL8aWYw/fbf/P0yhiD69eUo/rYAavwI0ez6tPcQ/NL/EP2+L7b66CpO/KjAgv05A4r+YmZI+Hzg7P4DOz7/yLOk/Cw8XQIFYm7+m55O/q5Gtv62f6z5OHp8+8YeHP4zagr3nwAvA+pgoPlbnIEBp9Uc+N2fAv+pQU7/5brq+oKN9vx7tAj9HlSBA+56RPiagLkA++l6/FmWgvwm3Or8+Oba/TN8hwIaql79v3Xu+6IyGP0/FOEDH3jc/lEA2v2J6Q0CgBw8/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cad33e7b3165d3630669b8f837ce8c9c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LazRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wyhpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wsFePA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dxR3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vMuBP9AKTL5Vhxy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "dbtqP9C31j2JOXq8hIa3vpFd477ulTO/uxpgP8OsqL9GQve+Zh7Bvz3qNL/ABAY+qsYnv9C6FTx6jf6/LcR/v9zTOr9vViDAt70bwKpeb7+XUUo/8a1PP6w/B8ACEoE+HRJuP6ACpj6UULM/JOrdP8gUjT/Tvk+/ZdAMPx0A877VW/I/LJetP3adB0A0wi2/QgWWPkoaxz+tGu8/srbZP+ZGYD8+PPC/V1IxQIw9iT+9p+6+1M62PwHNyL/y0LC/kF49v9PJ1z98n8E/8ZFgPygiG0DRzsY/uOSPPq1Axj8Cbz1A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: af12ac1ef030df4b075f612b9f629b72
username: gastegger
key_value_pairs: {}
data:
  {"energy": "e6Xuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZY6Fvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lWDxPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bqSUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "g2mIvyTWYr6IY60/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "p4UkP2BeGL2rBzY9pnrnvoHPqr5lSYw/PlBtvzKFx7+8onI+ROzYPaEmmb86ulq/cr69vrYjYr/WlOS/HDFAP31/sD9Ezge/J0lBvgbg1j9t7IC/ybdYPxXA+7/uZ4m/3mJzP+I0BkC5sos+iCcNwM33bb/rHvA7j23oP05Qvj/xNsO/NRYqQGHnxT+rKRTA8HOBv5LxJcA5rRM/me7MP6hTob7Gcvo+xhjvv6iMWT55FFI/5wT8vzfslD/ZvJE+EDkfwMiyhT5ILN0/+e8SPfsfo75/aBlAuNssv9eWC7+0cUBA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aa98dc5d4114147f9d23fb32fe993ead
username: gastegger
key_value_pairs: {}
data:
  {"energy": "opu2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qDp0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zqmEPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yEebvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3/2RvlXZbz9qTQu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "amV1P3Ptr7zPM8q+vEUdvviaXT6hEbO/hNNFPvSoEr8px1o/JPjUPzliR79T00C/YNfcP+bqoj+HXNm9SZScv04sXj2fc0k/dZ2HPy2lBEAa+XQ+uFTLPZaR079Qaj0/mLi6v0vGjT65xzC/nxKOv7k8aL/xEMG/TEhaP1Ixyr4bAQZA+/2dvxWLgj/Vr6c/kanLv9DzWb/AvxnA6uAsPRtHUj/g5xHAzIv8v/ioFb/TaKE/Va4QwBMjbT/fa4O/spAOQDep0T8u5IC/B3ZfP9vbCz/K7hJASVcfQFvsjT+zdyg/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e0c3904e702cd05c3cd83e8536fa9ad7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "I4/Tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mYR7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "58Z0PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hGiFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lUjivrRZHT/D00u+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "wrFPP8RiOzyJaSc8H6Xhvp/0Zb9B/zS+B94HvinXnj+jY088l7ldP8AFCz7fbca/m70fv71tpz5IMpO/yH7qP1Cng756BWY/R7tNv5KerD9CY14/BM2NP+CSR7+eCwbA7Qm8v6KY/T5pNei/aO6vP7AogT8yOPq/N30CP3CXHUAOn4y+cX1Wvqwu6b+rOje/q4IfvkLOSUDDtK++HsQaQNEUAj8uX2s/FAGyvzb2lr8tgm8/x9HWv1SOuL7Ta8s/8nXzvxSuGMCE85U/J7rSv0yIT8BXDQ4/+tMlwMYxJMBomv4/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 375167f0c445cbfa6c6da87299eefb52
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DqLRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UWduvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PiZSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cHiRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "059Vv6EtB74MdkO8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "moOCP/qCW74TA5G+1BJwvoUpP77bGJa/SZcHP/JqLL+WdI8/9eh+P1oanj+mGpE+13FBvt0eLT/5ZYc/iBcZvjo3/798l7k/wEqwP32ABb+BWeY/wKH6P+K1Dr/+8za/LR2Lv9MOCMDY7Wk/qVlrv0sWaD9gEaC+6vMIv+OWnT+hZPc/Im+MvIqqaj4oVArAZPL/Pm+YNcBLH5k/gpWAPTa7/j/7tyG/IDyxvkjXAsBarSFAR4T+v5NAiz/tduK+8wpbv2SKub8c1KO/9+0ZvrrfNEDvka+9BpXCvxzGsr8wg/y/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 437eed5fd3fea4f4e33cf076f2550f24
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pJoAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YAaDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iljEuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/Ol/vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8gdLP0YlDb+VYMG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ulVSP5fI1z5RJxw9UWf5vuHyrr43pL87QelBvx3KI7+qZIG/iDZKPwlE4D9s8Se/IZHpvtApHUBxKDK/YjTQPwQD2j4HsaI/nzIHQIo8n76Xoro9SynTP0znF0DksNC+OLzUPVyg/z+cIPe/tRfkvlV3mT9NPxvAmHCdP4kUb7644Pc/GTrzPvewMUC7/yXAM58EQEehsr+E0tU9O2emv8wJjD6wR8w+npE/QPTy4z1KyMS+VPuvvpvywr/hc1E/1/GwvxcKGMA8Rk8/GUQZwGhyD8CLLzk+yRuTv4AlTsDCvrw/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8ed3ecd9ade344c78fb50692a6306742
username: gastegger
key_value_pairs: {}
data:
  {"energy": "J+YJxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LWCKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2gMtOQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zXWKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LJ9Vv9b/Mb93oTk8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "PGcRP76e5z1T0gm+rHhFv6jFPD5WnZI+vvmqv7x5cT9CI4u+0PNZv3b63z6ZFa0/ume2v3+vlb+bIX09EeVlv4PLCcCKxcK+gaItwIaei78K9uQ+bOuqP/6nnj8gGCC8yxCCP2sEGEDZCOE+4ys9PWSnG0BkaT4/eb4tQBk5Zj/E/QW/3ktewDQ6E8A8vpo+uCwmQH2WCj9Nfce/qNFEQMfsHD3tfn09hfhjQEXsAECFCNu+CNpfwEVTJ8B0VT6/knmNQKuH4T/vLEe/5EFCwGiFRsDgrWY/3DiPwAUGBMBRric/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 26ecb797de368d431274bef9d4bfe14f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PCXmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mBR/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jJ6bPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "73Gmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pYOFPuVhIb2Wstw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "uf0+P0V9yD0EYUu+PIfSvlYFSz9yx3C/KuFZPn8e7ru34Z0/sOQOvxmDyD51f/m/bhfMv5OhAz/wzFi+oxygv5mtnj4FX5I/5GcDvpTjCkCqhHS/hm1rv1rDJ0AthaK/KJlUvxCLir+Bib8/0Jviv6FFcz+Xf+w/NGpSP8n0tT42TANAOgjSP4KKOz861W6+o19/P7llkb+Xele/+IgHQL606L/qeqS+K4b9P8ZjBcDLYzw/fhxCQCBWm789v9K+3UAPQPXqLsAUYme/God2v2lK7L9oID0/bK1zv8ngtL8yaSFA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3549173862bf143efd43270f0700b5c6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Wifmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "V5h+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "U1r/vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Da1evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gxc9vgLZK75rfXE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "X36CP5AnWD4EpFs+pD28vfn6ZL+0nbI9z+4av0Ewqb1cfI6/dv+JvwWQhb9ULp4/iJsUPoSylT83tSy/ysa6v4cter0/3cY/fuyKPmKM8b8Jq0O+D1b3vtK94z+kAA68L/e6P9CUNz9QEMo/6841Pz3o/j82J9O/NV2Ov8HWwb59ZArAlOzMvlBa2b8ZExNAbFnxP7Tq1b0kRsC+kCt/vxC64b+XM0NAg2z4v2zW0L9CvmM/oTcbPzpSxj+MFiDAhWMcP4lYiT/IxwpAdJX5P7jskr0D4QlALkkKQCFvxj+WO7s/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8cb07957b10abc9576e4c88f5547e58f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DLP4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "A7Nyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "S6xMPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "C++Svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TmKYvzzaAL+gNw2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "n6cFPjVURz5/nfa9HVdevzgeUb5lHZW/xhmhvpYsnT++Rjg/W6KBP4QZVr/ViRE/aFduP1Wc8r9gs68+q9rOP+0cFT7sR9e+NyepP0x5EL+b3/M/zqkxPx7n8z2lHwxAWVvzP8DWWr5pBLS/EUAeQMG0jj+fS5Y9+d8Bv4XJiL/oGN+//D8lQB0xaz/8GoI/Euifvym2hD9cFWI/0fiDvw31ID8kKu+/HvIEwGhJA7+cYvq+zJBKwDwaPr9E4K2/NJhXwGC+Bz6AE/+/0/E+wEPfzb/3vADAD1GBwEX5cb9waz2/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bdd6a8f18fc38abceadd8c66f1933f1a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hqjRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Bftvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "woloPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uw6Vvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gy9MPj9Xjz9tqBi9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOAGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "GcNrP99QDT5YIZK9yEEtvmveUD94eWm/HlE9PsTBz77Zj5U/RLOfv5TSZTuFG48/Qr36P/EDlz9UELY+4Yy6vwJpRj8REDa+Zvpev2rqs78tn34/IUzDP5YaYr/HQVy/1bJuv6zs1b+rsSo8pLK+P5Z4AEDDoGU/bkpAP+e49L4nGwZAvE+gv/DCjL2voa+/o8jyPaV70z8iXcW/ieDav/EArT6GvQvA5UoLwOv1yj/1IFe+SCbqv1bJjj6l8f4/uFgeQDE0yj8MjgW/2jIIQMDXsL+5IJi+hEEtQB9qOj9M9YE/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1df37a093dbf456e3e8044c5c2a7852c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vZi2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wQJovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AyKEPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4QmVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Y0UNP0P/JL7cKf2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "V1cAP2DSAL+WKnu8j3Ihv9M9q75A3oU/X+4Mv+Z6ib8s8YC/9SPUv5nhd7+hX7Q9PboBwPR0+L8Id9c+6l0gwIZio76rpgu+ia4WPx3ehT/bmFA9KzM2vw16/77v4PW/Nu0Tv8MjjT/UhGk/pzC+P3TJqj/jAiA/1WjVP2DNqb/XAyY+3GiivjKsBsCoOKS/HVXzPnoU9j/Ut5a/Wr4Tv+gdK78HdwVAYVAWQDziYL/8qkQ/tRQIQILNv7+OVTq/QUzcvsdD2T/pfd+/zzqsP8jM4z825um/+ZngPgSQPkBoA2S/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 23d6c7b3729ad3387eca86a7869626b4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "x6EAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EaiGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HSEDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "24dsvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "q+yHP9/D5b5qajG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgGRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "uTB8PyEHpbzwwR8+MjLKvXU5jT6Gvpg/qd0ePqOxrr5GvY2/l46Yv9kfqD6COlC//1+mv+rmDj9U4Qw/QUIWP82S4D1tNADA2a7hP8BZpj88kVe9Z/oKvF4poz6fYRhAAtP2P87Fj79VZiM/qkS0P3VYBMDfpU0/DZsFwFuvET9II8i/YYeOP4iEBkAtPNW+dZtVvIbL4r9aN6+/Tw8ZQCRiUr+CR8o/ZIYtQE5kpr9yY9K9MzcFv0FfDsC8zxy/3MQNQAlw0D/fw2I/CLkjQHJpkj9lbkm/RkMUvw988r8aCw3A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7a96aa59d242a2abf460eb7d89b46a1b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+JoAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Sfdzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HmvGPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VmKGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zGIiPmg/kj0wgY+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ppWvPylj97t/s5++lt6qPhVSkT/wWYG+JL1Kv7yDIT92K5S/OSw3vwpcXb8SUmS/AN4kPxv8lL94vEa/ku+3v5Nanb/2+5M+y7jLvWJkuD8/Jok/byhCP3JVBUA5Rxa/a2edv4XJG79xtLw/OSHfP3pnV77EsDI/0iYiQGoshD6a5qC/9KuSvxjWwL8mh9S/cUgLQNPjCD96PRDAaJgwv22F8z6PBvE/FKJJQDFVI7+leq2/DURKQPm1iD8acF+/0nTVv4QYmb89sRFALKMPv/glVD8LSw3An0Dhv/wRiT9No2q/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 39aaad526f2f99beab8c0ae58c3c3827
username: gastegger
key_value_pairs: {}
data:
  {"energy": "V4/Tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "c0l1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JPCHPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wqCcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TRBFPxSzFr9iSoQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "YtnqPrenCb6u31S81QhGv8oV5b4gJVc/WJcXvmQlmD/ZsgO/Q/S0v7yIXz9XWKI+F/kZwBoDDT7fy9u+l9fsv8xm1D/0928/wTofv9yHM7+D5PE/D1b2v+tokL/mrak9/XGsP5Oii7/6nkS/iWCuvkfqoT/UIcu/IgbxP0knmb4Ogc0+Nh7SPsxJBEBHfjm+EFDSv3WM6b/7XTe/4DkrwDBezb9yvjk/kasEQHQyWL8t2ak/HGiZP/gvCsCwHyW/kzAuQCXhSz/wgDY+Gh/VPw6LSL+oMeG/c7JkQIlk8T4Itga+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a8be44d6565103c67990fd9dd2d574d1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FiLmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7E9yvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "t9AVPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DeKLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8u8zvnbDxj4OFQO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "zWQjP5F7zr2jZts+tRMgviU5hz+C83s/WtndvP+zqb/7jfG9vm8bP+0nKT54CvY/3kYXPTGb/b53OyRA1cHBP+sSEz/OtRZAT9yevxPogD/9CXw/k53tPp7FEMDZihw+NJbPPtgzFUDDykY/nuDmP+NqWj7KR4++15a6v9VGsL8oAz29DgpXv/Bzqb/Byau/w+SKvzBK5L2IyQzA1UEcvAIALkBr2R27dTN0v7lmUD/E0NG/HbjEvqYK2r05j0LAL3IGwLPsA75p1ybAplT3P/BjlT8g3C6+MHtmv4BzEcCEaPC/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c75e3fc88a3f10ff162290ac023ac56b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oLS0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6MFdvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RX/oPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0dF6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Sx+6PJNXZzs7GZi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "+ScOP1zrNj78rYc+nP4ev4sfib5OGpM/1SGcv4fwgb+dgxw/NeZGvpkWSL9hIQFAKT7Dv8znXT93cNQ/zuhpv619yj8pSQ5ASQx4P4oxjT8UXi8/CCdRPhOUvD5chp+/GjLPP7zwWr+q1ZE+/IrWP5Rcq7+S6GS/GgFfv2Ci0z60MLe/ugcPwGOt4z7cVRhAnbEpP55uoz/5PtS/3kwTwAUM0T87HC4/uJLYvzNwCEAORyc93GBKP1+7V78aKeu/mW8WQLwdCcAjzpa/skeJPx8XVL/5lTPAh9Q3wOi0gT/yJuc9", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 43049905f7f8c522c3e994b81ddc880f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LbTsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Vdttvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1qvIOg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rWxvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "picEP8a/bz5Uxu8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "m69LP2l1aD6iAie+l4gDvqHmRT/4UJq/Limmv33DsT8ZiMW+joSTvymUsr4RN8e/wegpvUevUL4LnIQ/6cWyv+ep2T4Q0zo/CL8IwJKyGz5yngm/lLDYv2NsGUC0xti+DZYDQOTYID432Z6+oF0qQJPg2r4qsVM/L9SZvd4/1b+iKJQ/AusEwJxCHD8098Y/a9RcPzQ4/78/Va8/SR1mQC2U0b7KBBg/HsK6PlchmD7zJPc/TDuvPlpEqT9YHQHAVDdWvxBGsb/UfLW/O8Qqv2Vd979aL/g/gKrLv54qWb7C+iLA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f1af6e45cbbc0419f89dbccd686e8e1b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AJ4AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YsByvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "naBNvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "O1g/vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OBDSvlndar2oxls/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "bWuSPyxGZT5Cdx+7tjVauxy0kj9ZpMc+3FRvv85Ruz4Y+pM/tLtiv56Yf78p5zo/VduwPu8/+z/fX4Q/HyA6vwk55D8J/0u/Cu/tPhYRlL8x18k85j9uvnrJ/D+yW/C/sNxsPwYaDMBhxMi+iAYDwFwbsb9kuD6+eEDCPwxW6D5DSoC/T7njv3PNA0BaEhG/9egCwET4Sb+5ZI2/hRYQQI5AmD47UXU/sKT1PwX8ij3UN/I/4Gz6v2v/G8Bj0+y+tow8QLA40L4v3Dg/wvA/wAUvnb9/2qY+xE5nv8X8z7/jfdA/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: baf1112ae3bfe86122c8ee1f1359b7f7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9Jq2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TtRSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HVqEPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "roCKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "e9rhvCdmHT9HdzC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "s2VFP1nSH77O/Jm+RePovl9peL8id0y/at2Ev7PCUL+MPx4/hLuDvy7i6r4w08q/WFBvvo2vFMCqsZC/0xlBPnmF4b354Yo/681BPmsiF8DXS/+/kNybPLF6pj9L7Lg/OSSDvahZBUBOqe89iq/6vyppY75tTy0/yViZv8Ov4r/qKZA/dgVnP/QIpj8SN0q/y5yKv97sAkCSjpG+Cm1SPlfTSEC9P2A+qF1kPxSi0D/2ZQFAP/Vbv3rQtj+sXgVAQmUsP9sHsz/ldO2/cAbbPwjYNr+HT7m+eO/2P8kN0z9HDSW/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 224c55ab2b24e3613e276848bb643008
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3RS/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SBVlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ndqZPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SwGZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sTNlPuJ1fTzXL+g+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "bFRVP4//kT7+muG967eDvpR8DD+8yJa/bQ1TvwwSV7/Dkka/hJEIP9RMnb/lGzi+wlYavsHs1L9w844/TG2Sv+4TEL8vlTM/bQzGvjtkRj9mkkk/xFEMwL7KEr+TkIA/R50LQEVbcT8ZkVC8PZeYPxDt778bQEO/KUxav5Cbyz+5r7q+Rbruv0dQ2D8o9eS++gCJvu2zoj9wKOA/LaARvluJMD8HJhDAnf/CPksMxr9VNARAfWgFQNf0AUDOG5y9pAYrQPujMz9mym8/9Oc1QN0VHT9JQlK/9eETv7yXKsDmXYU/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ad036b531619988ddd3027f8d65f1a3f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ILb4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5gR9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "63RgPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EJGavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7kIDv30FCT65cEA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Cf6CP/f9w74+X0m+7QwLvpgVIj/MO/C8mlyDv9uZqb46/V6/4MoHOcIQu78qFRK/Cr3LP4Ns4L1NDIy/AMntP8cuLb+BMGY/YRh+v2efVb2oiPa/RzsYv+PhST9J3LQ/cCoaPp0X8z8flhO/pxcnQBGOoL0bqWE/9TCQvoVeAsAahqQ+exJavyhTPL4LKu0/2y7YPqZ6E8CC4s6/W9sDwKMb8b7wmg2/jlgRv6neHkC+wJe+rWmCvk0wPsBdFuK/bapmPi1DnD9zCwBA3rDcv2eg1D+9crA//1nyv8cU/j8hGhFA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8b73d6b7375d4d306643d7adc8617497
username: gastegger
key_value_pairs: {}
data:
  {"energy": "razRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "w52Dvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OgOjPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "982Nvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nRF1P4W2rL4TZrY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "4gucPv12rr2iSl8+Op5+vxpEX79K3Mc98qM8PoBLsj/2R+E+Oqrqv/0EP7/yY54/Ls68P4NfUr9arF0/Hj5QvyUm6D+ALfA+tzYxPzn8Yj9+Kma/OXPLv8CnAb+LDD6/456svzVciL9WTgBAsaLpvdgugz938ATA3fXgPxPs1b+gdW8+Va5Dv170jz8G60HACJpCv7q79r8AueC9rCehP8wlq7/p1w1AS6FoP70g8j8hlok/1VMgP7g6CMBrvQ5A/r3gP37tfT+dmIu/mgwWQNZ6Hb6Vq2Q/BzZnPxvmH79KEjZA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 36f77ee23fe33e44c8e68fbde87f16f1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "siHmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+MZwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JUE4PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oWuPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "B+ufPwlQU75kdXM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "pWEXP5drgT6O2fs9zesxvzBrsr59HgW/AK+RvvuNbj/135o/lAoxPwJfhT+CNZm/hfnkP9tzCb875xU/lMq/P6Q4l7+1Obc/J+0jQDebHj76K3Y/wunJvytLrD5Vig8/qxEQwDiaiT+0Cfk9AGkRQGOgp790kQC/qqYXwB5y+77gi7A/5y9hvoNQAUBviaM/NUsLv0o88D6hm9i/sZrnv8vblb+WfeI/AeZfv4nws78gBT2/Ktf1vYhcBD/Mcw1AiD9FQPFK4L959G6+pgYlP2moCEADOY+/IfXEP4jwPz9EoOm/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 22b61f187f6f05fd2abbadcaae58fdde
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2pK2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MNRxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gXuePQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+Iigvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ijwpPpEPuj0J4Tk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ISgaP57U9r0fNRi+JXKSu3NlZT8b6xY/87v0uq3iKj+85f4/kNQ9vm/Js79nbxW//XKEv45zAr9QksK/IcHjPjmAnb01vNe/x5gQv/aGfr7rig5ARk3av0/zUj5HJoa/1APQP3izpL6KHlY+Fp4Av1m3EMBxFlY8pQO8v1FVgr/uYBjA9PSDP8TwAj8g5hVARwlJP5VWx78Cwd6/kLUfv6R87z+sNStAQ/rdPzLV2b9AAbC/9K/Tv5bzAECWrhVAMfleP+EqJD+UxRjArFhvvdC/MUCKaxxA1Dshv4eY3T8voXBA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8b98ae1aeb1e57641c3a077c707c599f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dZsAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Pul0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yhc0uw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3xhyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qwmOv5Yh3r7AeIY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "/f5MP1BiSLqcrwI+Ut13vg5fSL/RWn0/3m1bv9cL8j6KWro/wBBevfjmoD92VeA+NAKPP7Dql76zPqm/xLcHwOGeUT/sqDo/VE50v8/zsr9ol88+NhOqv5UtxT+SHcu+BbPfP1vRXD0OpSo/1kOCPmiSw79bDARAI3T+PgtVCECnW0o/iwMuwAp/UL3RKeA+Z9kOP6uFGMCVhN4/bwKuv1Kdhz9ES7C/lvMvwARcvT+tVKo/WmB0PlTAir+uKwDAw6nHv/xFJkDUege/OXYEQEfXJj7+z/G/7HvmvmA4tL9Tj7S/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 520411a82247021e0fd21a8bc7c928fd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gTzkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SfRivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wvf+vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "URVDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3e/AvqHbiz7Tn328", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "sROpPhW+Jb2lqEA+RqVrvx99C75bwoI/HeIlPm16OD70B6a/LSO2P9jf6b0xoTc/6ocFwI91WT6EJbE+cUwhvw8o976dxNW/olNuv5+Plb+grAZApU+Ivs6nmT92lrK/dg4lwMEbTD9P9G4/nXyzP7imjrxgNgDAlAZVv/MKiD7taxpArbwKPrgEAj9+6CdA/adDvZjC5L9fhQ5AhUjxv0nXz78yWxZAiTALQJrTfT50iLO/LHu7Pzp1Iz85BFPA9V+iP4Lk3D970lDAgHE6P4rwRz4JgH7A3fkcQELW9z6aOW/A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bf54c3ff2b73b87648f0cf1d19904087
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HSzaww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "oE9kvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "e/VxvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SDBVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Fam0vy7iA79UOrw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "3R/RPuZHH74BoCm+trw1v4nQf7/v8zm/sCv3v0uK0rziTHG/9R27vyW+yL+nfwM/VuwawD++wr4sdOo+DArZvh4I0r9P5sa/haWfv2922b5pVbg/tjvNv/+mJsAE0Eo/Ii9cwDoYn76LslE/oAnav2Bqgj9PkZa/nuYyPCpOUj75oo4/HF0mwH3h2742PNq/hiu9vzwOBr8ClR9AItW4P3nkXD4hvlG/TNd3PglFjz+4XLw/zZobQHZvcj8BaDO+lAAoQOQ0JT9lsl4/QI9GQPPX7D97QEa/Ha9zQNVhDkDIxw2+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8fb4fd738f4764e761155fbf0cb72501
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4hK/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Xi1Xvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ga0jvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jPJMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1EOUPuzd3z05KOE9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Tha+Pq3JXzx0UQi+E+Qgv0ZP+T6fLoW/3po4v14Gjr3F9fy/wh3sv2nZkD9M1Oy+/lRZvwWe9T+ZxZa/z9oDvQMFNkB62M2+6kXvv6LqmT9BhB8/UXhnPkioHkCt3Rk/7sBkP59VQ0CCqnK/1PIzwJR9gz/qPXK/Jj+BPrU9or8mztg+7lBdv8kiAcANk88+k+bhv34j2L+U98C9aYq4P3QP3b+qxog/bw4eQKrvBcA458k/T2oUv+4+ckBVY5u+BWxXQH80G8AftwJAHKNhv/kPPsDeWWo/TPeoP49pdD7k68y+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ae779d12192d33ac3b60fe96aab762aa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eqHRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "b9VVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9+diPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tkeHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ryVsP0D2+j7uXwG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "gS+0Pr9Fgj6fFpU92s9av+lsDj8x61m/x4wYv7jUHj9KtKA/VsKaPizenb8WXtm+96rJP6VYfz9wdRW99u34P7RfbD+R0Hq/condvwWRWj/yoZw+QgkDwLN26D877J4+sa5Ov432Mr7Cpvw/ib1Yv6v7br/r4qa/I/9Iv/GypT9antO/KHCDvqiGwj9hqOM/H99+vzmi4L+H5hG+MxYmQE69Gz++wW8/CB6PP1Vt+L/TFAm/GcaTvwh9rr+IExDAKuMOQDQBVD/vAvk/3943QOFi6r7fOWg/09tfQPDVmT87q0U/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e1a9400f758d534a8fd07718845002f7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cZjTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "w0WGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tYr+Ow==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7j+Kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EJKpP1CNH7/jwgE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "O8aUP805Cz5qmNM9uGG4PnXvnD/rCDw/6ToCv1AjxD+RyCc+ABlrPm19pD8hIQ9AIEoCP0HOhr+/Ph6/QJV4v78Dir8xVUy//s/KvyhpD8D88ea+VkymP5APjLvPKbC/3iSJP4aIE0Biv8E/f2Fvv03GN8DDU/a9kJMJQMQBD0BsYc4/1igCQG3HIb7sOy8/ILx8P/gGAcDolu2+8aQzP+XKJz9NZf+/J6wzP/OKVEAterc/WiEQQANvm77v/+W/W2c+P1J4Bz/CjDRANTs4v6+DzD+U9ylAGK3Qv/pkIr7DDpu/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f9665e5649a05228757f997ad30e425b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vhTcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Er1svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2ezIvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "d59Tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "elMJvz8dXz9WfW6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "0HSfP/KQtb3MhLw9GMW1PloJrr9TYYk9NTNcP3lhNT6t662/rdqivTU8hr8y16m/quaMP9CRfz81p40/9SqfvfuZuT8tbMQ/39WFPsa0FMCgZUY/CZSyv/jXcT90hIA/XEwWv3V4tT7aLbm/5RbEv1xCjT9k9AO/NvERQA8H5L6WEIk9bOjTvVmZDkBTtRJAb8kkvifR4b9F0wjAmJdWvxd1FD+U8h7AHxgBQOOStD+WSsI/ZzXEv8ot2b086qQ/68y4v8TCCkAu1kO/l/YNwLXLvj/qobw/bN4iwFFeTj9YKVC/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aba7bb4142e21ee076ac5d3638c5bbd6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0VP/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "N6g9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4WBvPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "b4B5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JxSivuUKLz++aoW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "F6ayvkdlwL1BfiM+8dKQv8Mbgz/+GI0+HI7dv6FAmT8zZnW/BMSjvyWYPz43QOC/VQLNvk3QH79+eIO/L3kkwKIhEEAP3Y2/H+zBv26eb7y2OzLAXe2tPnKP/r7ziJ4/y2yPP/F02b/2N4k/CBmjvzfuyj+QlYw/EEk7wHgHD0DZGQDAepQQP0LTGcBK3OU+efceQMc6s7/mEvE+7A1RQPgsEL9USbE/r6kVQEl6eb9FWwi/gD8yQFurpD4gc8I/AzpAQBbdFsA2268+uv2dP9fgBcAyYwVAZzCFQGI5q76sP3c/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4a3f250e9916393bbe7dda1a198d2c2d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OZoAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AkuGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5/7qPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8PqUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "w7YFP0waQ74BwWS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "zUN0Pw7Nkb2BT4G+iHllvkUS9L44G5a/tFw4PJJ+kr5Oh3M/vQOrP3NCyr9fLRq+tYdcvvl6wL8GmuA7LHqKvwIgUD5W/Ji/CVchPtc+YL+Usx3AIjfaP8qMA8DPVoe/Y3aHv8M6Pj/6AZo/CZsfv4gtAkA9dpA/wSHzP/C3779+0Dw/HZcHP183CL+j+fA/o4gev8W/mb8TdjvAEl2MPpmaA0At2UI/P8jhP/RYhz9x3K++Q9cPwFSJ2z4yZ8A/D1dov1OuFMBsGzM+qXQzwOKyoj/tP9U/86EDQMO9lD9uzKC/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b966a23087de98bdf1c4f0bba687056f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FSXaww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wqFHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4lxDPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kNdTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PzWuP1hzgDrnUog/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DIIJP1iK6Dy/94i+iM1Zvy/3CL9PZN++YTDIvxuqJb7ITk8/HUgRPyfdWz8WP3U/xu8jv6RXQD9dKsg/f2zRP8z61z8BYqI/1DkEwErgcz41xwq/cBojQE3spj8ZNIg/DdEOwGlrU78Nuqw/81ufvtM96r9v+Ie/ISONP2boob8YMEW/USruv/Xpmz+uAzy/cefNP8ZzBUD9mwxAk5tqv1qRnz9yLB9AqVwOv7NwL8CMPgO/69gGv9Hb+7/sAAjAjPn8Pyuw57/7f96+XHihP52Sgzvh3MW/wrMNQPxzqz4s3rC/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7b0bc0b238ed8b5ffc24d18b6db95c96
username: gastegger
key_value_pairs: {}
data:
  {"energy": "56fuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "euN0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZRlivA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5MFmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FW+cPzgVeT96xyk9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "gO2BPwGajz6po3c+pP0+vfXkRT9Qwje/8aaivyDLv73DtQ2/e6PRPid+Yb9VJYA/ENh/v3qVjb8cswU/lQa/P6k4jr9tMlq9HUknP58KjL+KRAJArrXqP0ffpD8dB18/dFicP/styr+TOH6/fPegvwBKrz+lHa+9zX6gvzrfyz81uXk/tNHsv/+SAkDueDK/OOABQJRGiD96eus/V7fhv2Va+b8sSm4/WQK0Pg/klD8okP+/S34uQP5asD+YvMs+63b1v6ITs74D+rC/IJ4dQFTNsr/436w+hJEwP9cVBEAcpve/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8b5a06c93c9edd93ffa25eb59cf98fbb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3f3Aww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6jx6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "U1ipPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+rOHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kX4bP++Ph74IrBw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "eJeLPzXihr08XlY9MWS8PdcIWb8Bw1q/AqFNv6YGmT5F+Ge/ov8FPsuWkD+Ohye+hGE8P6dHf7/6QJ4/Ko+Gvrk+5L9uu6g+Q1CdPtma/r6l1wZANEzlvkwp5T+MEH4/SP5ov739FUDMP/o/p0Kov19Q3b+Dnh0/VXs7PNALNcDoeCw+WB+pv3h8NUClaDNAeJYQP16T8T98Z1S/5SS8Pqyytb9V+w3ArtPKP1i3zL8+c8g/Q8M+P5AjJr/AXTnAgPGMP86qDsCkVgrALgcOvwXJ6b9maSnApwUJQExg1j10pjm+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e8bc39d511b72a155e443b932b6c2e67
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kRW/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ie1uvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DmuKPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iBGavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pvJWPjQRtj2h+OE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "AA5vPxsEMj5AFSs+5BxfvhHYhr6zbY8/UiKMPpQcKjw7f5K/bE+av98qdD56R4G/EwDBv+aKNz5ET+Q+D/nMv78juj89Zoa+pFxzP4a4lr+TjwC/DGMKQAmPdT+yDQE/j0VJvyx4AkAVzLC9hB/1P64FAEAhWT0/znsrQFvxCD/Ke68/yQibPTPm2L9I3ho/O+82QKbYdD/Bc62+o4QcwLtpXr69/VI/+hdKP0Qimz4NbQPArm7yv+B7rr2UJeS/+HkGvniph73eIgxAg2FHvyJYE8AZjJM+w1M1P7nnEcD1PaM/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a11485695522a58fe31c229b61b3a984
username: gastegger
key_value_pairs: {}
data:
  {"energy": "450AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H7qIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sVEWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0t9rvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xqewvt+mrz7KT6o+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "0WIrP2szAz4VltO+HmgPv1bJEL9wdIK/zTqgP7unOj8iFY+/Y32/vgUl0b9amY+/BPlKPkdIgD9oDRQ/vqLYv1HVf75T+Lm8q45yv3BNyD49vZU/dgQPwMM4kr8iZ54+cdIuwEOdNT8JDxS/J+kwwAjXjz+bptq/iCNNv/s0Gb7Y0/+/AepfwGrugj8loik+9grAPzCwY7+uHRY+Z7nBv7rPlT/L3Nc/S4olvwPBvb419vI/MjItQGz4975roxw/sIU7QFhiET8ssMw+AshcQCn4pr/+v5s/406KQFc1Wb+QG70/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d53b950679bb74584f688f41b6054cb7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sQPBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HNNzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "saiIvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Br5ivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lIeFvrddyL70pnq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "MGNNP5Le9j2Jyse8HP6bvXEFab8pbS8/sgW3v6vSP7/sx6i9qrSbPkuJ97+aNA8/BluHv9lxsT7o3oq/Ndpevi0pML+bDgtAD+nFPnG5DT5a4DNA0hxyvzdMr7+nEitAWHT9vM0OpD96JAC/ka3MPn75ij6EMLy/rljkvzz1Nz/Af+a/S76RPzy4gT7UAjHAg6BaPduEFkCNcdK+G/+dP3E9Q7/6c0rAnnoJQLTJKD9zXCnAwzrev5Km1r+v1xK/9KQfP9x/Wz/bQWHAQVHqP9t+jz7FuI4+nMgPwNaS4L4kIBQ/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bccb667d9fa52e79bed7d90dd94d5c79
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MpLTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "duNtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "h/nyOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Qnt1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4L4OPgkzZT8eG4G8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "y/TsPvaCij5Q5Hi+2tdtv8gyFj9qJaE+COHNv1PD0r18jmW/6rRsvolb0r4aEr6/epsPP6Jqm7/SZgK/gtDEPwVXwr9V8WC/U26Qvzrh1D//oKo+A646PdrdoL7gyyHAIkqZPOMqDMCoCac+ZBYBv5ae3r/wqIA/MnMNwKb8er/VOCW/S1Cjv+busrs42Mg/WkINwFCAFj+Ky76/a/bQP/fckj/YuSi+fZ89v5Wkzj7uiBBA8wUgQHeuUT/vSjy/RATcP9WdEUDL4Ao/v+RjP2HpKUAc8JA/ajQoQOpMN0DFRg8/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5bc672d773800d657a3bdef500b97e96
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dpXTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GZJTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KSIDPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "o1p0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CHeXPg6+OL+MEAY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "hDuhP65vjj5fqg4/XrYiPp4/Br8TPcy9q6qfP56XZT1G93O/Raebv6zz+T0rX5O9CBWCP2Zxaj81G8m/Rw2av3irxj+BcOG9/UH8P+iAIb9BcrC/OWrdv5jJS75d7lg/kJgFPjPpAMBuJ+49WiG+vndvD8AACYk/TEaXvgVFCkDoXTU/hrVcPynGzT/CyIk/4ayUP8IeGcDyKUI+E8rEP1FFCkCw0ts/9/oPv4hQJ8DJLXm/2YLov6oURr6AOm2/G7AcvzcTSkBRYH4/Lk84vzWHYsCCfUO/YZ0AQL+Qh76b7o8/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c161986e44d7221ae1bb7e1d06716652
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oCbmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "J2l+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SYFFPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "veSXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cLG2v3KKTj4Us+6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "W/OhP4Wl9r3hEYw9f762Pr0zmz4RV4+/NZOHvwDqFL7T20W/65D8PunOob9r8Uc/FTB5vxm+j79WmMo+maHiPovPsT/eIaK/OORTP3hnzL4ILhHAGFXUv021SD6LcBE/lV3Mv9ygAMAY498+Dp2Ov0GHlT9xjrc/zeGwv1FpAkB8644/hiMNQGsR+L52q7O+3SjOP4JEcz/qlms/xiVLP9aZmz8n9a4/8bUvwPNQHT5NvB0/jTvfv9nxlr5DOs2/3eyIPv/SML4GH0HAj5hZPw4TD8CaWto+/LMrPxVnnL99/+0/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 48c662dbf418d85049fab8f2f10156e2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RpPTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tkdfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Y2LzPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ArR9vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DaZhvXL5Tz8wgVs+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "PmSPPoGrQDxxyv+9XyKTv6LB+j29IjO/fSyqPuh+t7+BP7k9OVf3vzIoWL+4gng+E6xzv9uD7b+5E8u+g3wPPzY0QD9F+pE/twXwv0K5Mr8oT6k/7ii1P5sn4j+nLaA/qe6OvwYJiL+8h9u/zuaCPw4Tkj50oWG/10XAv/xXjz+IOHW/YR7LP+DSEEAuBQ1ADiiWvhsKjr87oxvAhjKFvwEBPMCXg5++cBc0PedW3T4JcwJACek9wHVifL9OZZS9JdcEwMkynb+3Xg3ADUsHQJj0EEDRDT8+IcYwQGWjOUACif8+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e25e45d011327eb50e59af8331110943
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MUL/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qtNhvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qb5zvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "v5dSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gspYvt/4ur6l2qM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "7kcUP/9JpL6XKZA+4LIIv2EClb+KK5S+wXDZv8VwLr4Wdta+a7mqv2AdiT9pxyo+L0i8PU7vjD+nfwo/eI78vpiooL/AE+S/D1wrvzU/B8C6o2w+p1reP02LUr/8guA+5p+NPlyPyj90//0/A6YqQPgfAD4lgGQ/I73Fv/P9Xb6PCO+/D3NeQEzTyL50K3U/3CxdvpfeZj9U6StAJw/6v4O+sD91f2Y/k6aqP5EL0j8KcQ9ATXAtwD+c8L7fv/+9OiYqvvPqJEDjWwZAv857v+YgB8AuTAPAKDEmP0QW4z9h2v29", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 208077b4ada1b1ae37d78a14e31cbb94
username: gastegger
key_value_pairs: {}
data:
  {"energy": "S6jRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DttWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "r5Z7PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XeCKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yJibvhhbID+JQaC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "sR4/P9fNLT4f3NY9psrnvukM8L6nAAy/Y5dBPr4Zhj+zmJ4/P+POvw6+lD4E+2e8g/Sqv3x6hb/CjQQ/YhCcv5Hzqz8ZCGY/O1QhwBDo8D5NCxa/+Bv1P9ntGb+Qqr4++8uiv/anDkCl+s4+x0cAQG+D5j6f4hi/b8i2vtZtj7/Y0fK/K/sJQOGt/D3g78+/ovIEvSE40r4xfirAoU4mQBYbqD+Cwpi+Lqr7v71R3L8mr8c9C1K5Pj81+b+f/O+/Zrypv8ghw787Hw3AKupAPxE1/D8nUbE/QnVsPgSO8D5wlwpA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 93dfbf2b716e025f0d67ab3db20085a3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SZsAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "F2OIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GjOJuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Sz6Gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9x4uPRSWOD6si5u+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "oXayPvqqy71K6QW+t65bv+0VTT//6ay+PENvv3bShD8scbS/29LVPuoCf79kT4s/o9kIwJ8WOD7fHWk9N1lAPlEFzL/HaIu+BQ4jv4Ah/z+69dQ+SbNQv1RJ+7/h8va+THanv11LKUBPfj8+jePSPwHmDT8ZyRW/e5q8P7MUiD/YG8a/uddJwOvVkb4HJbY+E1PPvhg7fr9isOU/JzwZQBpYYr7ezUK/fqCzP0yAjL+pmsM//4eaP+UVEsBYA2+/SEAMQIhxuD+rQL8+Kfu9P8wDA0Au4x8/snezP5NbRcBDkt++", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f05a89650c8d1703b396a51cc9c15fc4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "T6/Rww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LnZbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8DNuPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lYGLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VG8VvzSdZb+kqlm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Oao7P763+D22gXy+48rIvgkgGL9F2Um/7BW3PhiTXz+JIlo/zxQGQPvutL6zh8K+KeWBvwQbWD+NfXc/ArDDvwcns72QNRg9eV7ZvsDTT78a0BHApR2TP2Bqvj8TftA/XM2JvmGwBj471jPApzmNv1Knw78tLUI+KK2xv2kmnb9xTCXAhZsYQFRzx74Yfre/LFohP0I1/D+A3hZAJQ8Xv/wo6L8R/Iw/Ak0OQNVorb/R0V89su8fwB26RD4P4bS+c0Liv3nhEcDmq2W+FqsvQBposD4LnRY+F9WzPgEiwr97BCbA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4d08a6e5d8707df613697e7fb48811c1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UKvRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "x39hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "A5QGvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xto/vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Dmd+Pw034D7qW0Y/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "CuyWP2a+kjywgeW9prXqPcQ0276SPU8/mngYP7wniT8Cf2u/MSF1v2S6MD808WM/PgQ4v/PNwD+0dLu+uZT6vxmcgT72RXM/UHFPvwLaqD9+B+M/nl4gv8l/ST+7PNO/C0Rqv+VjPr4unsu/CLEaQJZ/3T4AyAo/ZcYMPz4YJL94p+U/5VrivoEB4r+Q2qY+67KNvxovIUBsXdi+2qOoP9XP2z8LdbS/K1I2QIFS1L6TQYo/v8XMv984BsAy4sQ+5oKtPkSnG8Cc7s29B/RIQHliPj+pyF2+yWASQD0Toj/+bKA/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 551f30ca26c96ff833d55879922af714
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qiLmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dceCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "K76BPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ADejvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "r1oxP6ytOL4IA68+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "NtHVPn4KNb7OueS9/JOGv1xuk73/yMA+8sllPdedyr+vXSy/jcO3vzdjlL9mvyi/ioKTv/Dz5r7DmLM/Owrgv6HGkT92L08+i8zmv8vkE7+T6fG/AM4KwJO69L/kHLG+efAOP9nEBj8z/m+/TxGYv+lp7j/fZP8+8vAKwCqRlT7/C9e/s2qGPjyEGMAxzzE9jCPAP46acrs3w2c/zabBP/AFPb/PSts/w6bsPmIm7b+p+tK/1wjaP+CIrD/nUq0/Xg4wQNyxNT9RaR4/dyg7QNaxjD+iMMS+1odpQG8T9z4WZJg/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7b09916f8bcf7b5cbb82ff228bcd3801
username: gastegger
key_value_pairs: {}
data:
  {"energy": "l5nTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Y+56vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ArkEvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IsBZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "16OwPgJlUz368nK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "UsmQP1fwPj4qz+C7D7wIPrLGar8Hcge/Mz1xv9We5L7v7QM/VcUyPp6LvD4iEpY/a3ylPgq0Mj8dehRABWGYPxWaoT/uCY+/ZHNuPHtidD+ZWwTAEYwlvpBVE7/UE/+/c2LePqxl+b9jZ6++U0jYv8SeST4ZbOE8HlzKv2ROsr8OvKk/yQMIQGop+r1QxKU+BZKkv1S8nr975Q5Ah0iVP9EAEkDg6Ti/dQ9lv4mIuj/La9y/RuwIQCVHkz/US9O/V9uTv9TgZ78e2hPATB5NPsWapz91bUXAD60RP5YXib+CFCnA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 87778737cb090715c35987dadbfd5555
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LZu2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MZZpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "g8OLPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+buXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qkNOvoB9BL/H1z6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Ahy3P39rkr0EJam+imOOPikyMj8yF5Q+dOZHP/aajL9b0qS/+oZ5vwdm1D6gd/e+QKtPv5R3NjyRCm0/CM8nvwEiFb9Nncq/2bxJv0mgr79gkrE/ArA+P5piBcAXuVG/uggoP7kW9T9TA1c/jgQnvefeCUB9Ibs/9GlAPl7Zz7+TU+g/O3IEQIpHCr8ceNk+iJOBv4UpBsBmpBg/BPrEv1byv78MFQtARevev28nlT9CtCi/LGgDQHzlJT/Cv16/8B6uP52Dm7/RMQ3AGlgyv8srbb2qxiLA0K6wv+J3s7/dzdK/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 43ae1491711fa06523c06b23c6ddac50
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nKzRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2/pZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "43BmPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6WFovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qyHBPm8vhb/7rri/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgHRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "k5BPP0OPgT7fieC5NxeRvqrUxT5kS4g/4ZVlv8okTr9mgSU/cSlXPQhrgb+HreO+n+QXv1Nllj9aVvU/V7W8PWtHQz7tOa2/b/wUwBvsg7+eAhs/qlAxwNwaNL9V3rC+UFBTv88mRD+CSLu/aJbiPhTh/r9YlzC/EWkKQEoaID80CiU+Q+sxwC/i6r60nrU/6QIsQOVxBrzlXUA/glRxP7CWDT5foSbAEcwjwPW4BcBHbkA/Q5rmP3J5B7+I/R7Awe2oP2KrkD+K6zfAyzO1PlUvbb4arVzAD+QpQL88QT8IXja/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ac33175755929f83037af162466a7487
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AZPTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "r7Rsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mxuTPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PiGbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+HBJPYeiID5l5Ew+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "JJJdP1MUAz2Nk5O9Dx0wvnlvkj8h/Ny9Zkesv2eINj+/0EA/dAWHvyYSLb86g6k/ri+rPkbair8zhFA/LmvAv4hsZz+TOz+/X4SaPhJDHUD4IRu+UGbpvzTHtL+VFog/zjAOPy6cqr/YwSS/iAjtv+u8tz/CP7E/Qgz0P8Z4qz44K0S9I0LVvwnuWz3kBLO/k9t/P+CNz7/hv70/GTYCwGFj5j/QOoa/ID9IP7c9KEAMpio/DzyEv46MHr9HsRpAlbKbvl7+ub+Oh6a/CXLQPxPaC8BE4W6/s5sCQC/O8L823t+/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 812bab8b2445992cf4cd6a72b31c032e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gvnAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "z75yvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mS6kPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Dmuivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IQIeP4qOtD4hH7S9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "cs83P/v5jDw1jby9Bcwnvx+oWr6f+jC/OGWavzFhnr+rqCY+eXPxPj5Pg75k9bY/BUfZPF66zb/BI1k/m3mZvvK/lT4P4fs/7RkVv+yEI79bi9m/7kadPwfQub8uDy2+frlav2GHpT+OcW6/ztcxPzLmtj98Wjq/WsKWP2Cx+r/UN5G/EOYEvqtzIMD6Ubg/p16zPzOAl76lDgBA3IcLQNe/07/Jf6c+qmOMvqFQEEAnAoY9Y3q4vzwt1T8ppOG/3Zm1P1MI7j+gI7S/AOW+vm/5B0BncJE/A5q3vsejUkDAmn6+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 26c655c3072586ec7f550d0bdcfb32ee
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4ibmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wft7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xAq3vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ABplvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yv0uP9mx0T6XHPc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "87CQP/dQoz1RVUu+qyc6vQumhj9yqfe+8FUbPsX+Tb9gnCE/lJ4Jv80JNz8ieLO/343vPyroCz+wF+0+MUFNv8f81j7Dqjc/gVgav1DVmT+82vA/PILDvlE5/b/g4hu+pOhRPsklI0CeHQO/1C4mPwr5OEBgAto+H3yIvwk5SD9lPCdA7eztvxVeRj7+xgw/xXTfP6aZGb/JYKK/DyQVQDT4ETzPjt2/dophP00WNEBqlaq/sTUPPxvJlb+bTco/o+Q5v/2pRkA9Aym/Cre+v/NQAsAkOyG/PUmqPgJ+NMDaBYi+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9ff485f97ed9be42e8b717920065638c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5Ju2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2ER2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TkWKPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wLOdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HLEOP76kcT6Orx2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "76WPP1KV3rxVOoo9bt4HPiMl9L5B6X+/spCMPt5Hnz4DJqg/0f/PP/6VYj+dypG+/RaOv9EzNj+3FEA/3pIrPknBFr98g/c/OrOcv/26+7zJ9xC/CamOv1B85T8RXxI/kwFiv+6Lu7/3+Re/9K3+vzK7iD4BhqO/MSEYPxZxDb8NoRvAHVTzP+DiRL9aPI0+rkN7P7i80z6RdzHAKgf2v8hq/D4Ys7k/dJ43vwI96r/0Ya4+t69RPzKgqT9LXwlAeojXP2hKyT8HnOc/WkGyPwCdpb+mByPAdVltvtQTWb9GPkXA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6e3f7d0ea3ceba85ec10744f8f28d3b7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Kdnqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kPRJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "D5nyvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bqErvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FhgyPyQLeD6amdk9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "C4z5PmgSSD3GgtM9BKD9vkBfeT84CE6+IwLNvLz7rL8eaRI9YYvov6ejJj+NrdG+OkeIvndgGkBARpq+1UsHwEPuG78kWsS+jSOjv3n91L89yjy+c2xnPxDuEsCLPms+VEFKwNT7V783Fg2/L1LdPykCLz5nLtY+PW+WvkNpOUBh4y0//8MdQGkksz+QoR4/+tLqP7FI/L9XgOU+Li00QPeA6j+h0ae+Sn71P31uC0DA3JQ/ip0jP6PwUMCWvHY+uBhXQGFclT9r/pk/ni8wP06SJ0D91ke/akqJvygkNEBdamm/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5f6b56b565dfbfe9d66a1bbdc3d913db
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FCnNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SZ2Avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6iCvPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WI+Lvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DasgP7CsVL71nPS8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "x/KEPxCMgr51ZKm+r7pHvsQ8l78Kq4W+3oROPw9ogT9VQaA+ne1FPw/ZgD/3Pdc/HS6yvhIPvL847Eg/llkgPZIdBsAdmVG/zTnGP42ktj40WAdAFTrvP6vAQL+AGkY+jxu6vx7vDb/dEEm/Y1lkP0aaAkDfJAFArmDkvli9DD+gsgpANgS7P8+eiD2FzuC/Tbvkv0+apz5kh3m+QDEKwPcYgL/ACOm/QP3tv+Pc8L/MaxjAvMQkP1uODD8FCRPAUn5EwN1tAr/7SQnAp3ndP9W9Wb8FXxLApb4UQGp7PD+oreC/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b6cb5648239b087a4bb2926a05f09137
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ctzqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Et5evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xv3HvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Wd5Fvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Ag4hvE1KwT0HX7g/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "UtwhPv/29b1ljPW9Nm9cv87COj9OeSe/46aGvweRHD+PI/W/8tIJP+D5jb5WA5k/9BgxP2r6XL9ejpq//a3kvWb3xL7+/xnAzHvOP8uh3b/jBZ6/DCECQNpY9b+zFKa+fk8gv9ienb+3ADjAfsi9vySCyz/wHj0+ZsOuvyrntz9v5JY/yDwTwOlEA0DjpDO+VfkOP5M0Bj01qErA/pyuP43ufL+Nrag/KFaauy0Gpz76FgtAmfYBPyyAcD0+E2BA8bqqP0vsKr9/6mBAdD2ZvkbvpL7xV4RAO+NbP2jLfT/QGH1A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fdfa802aa8e3c643490b122b2b86df13
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4BG/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "D51evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ap2JPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yLWRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eJdrvlHaOz46zKc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "GJIoP9MFEL/aHEU+WlLMvsIVHr4s+0a/kq5yP8naBz8Lb0+/57u1PrV2vT/Kq3E+Jz6Mvw2ecj+h/FU9HeGmPk2hzD6Ieq0/JByWv7nHyz4dOLk/mrVzv5jsc7//t/S/yG25v6iXlD+VXARAJVYvP+f/IEAvN58+lND5v1AJvj8PI7W+y8WyP7QW7r8dWXc+Ht1pPyNvwj74ZhFAJAlXPycrJsB+t1Q/x6jFPyb8EMAaPUO/KJLjv8Lvyr+X6Mi/BZIYQNHf3b8gbjI/bBE9vsRxzL+iSRbAwPqpv057mb77Ki3A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: af5473d2d37fe95b5b8e2ff448340018
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hSbmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RIt8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AhHivA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JElgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "U7MvP5gvZ78Aqd2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "8NXWPg5oyjx4GU++ZLJgvzS+RD6VL4W/C7vSvz5VIr+OCKE8ALn1vr5czb5mDII/LbQvv9j/5z7kYNU/H9apP4WjjL+q/i+/savbvybs178miIe+LL6Xv+Trnj/itIO/INf/vaeEnr8aD88/zVtdv+ygLb4WlgTAirA8wEI0hL6X6cI+IlQ8wPJkLj9+fxg/6ew4P6Vy/b9FrnK/g7jsPz3nR78gTM2/hm6aP/NnpT9fGlA99L45PwGhGUAg9+A71HwRQKYbkj/fxqE+UdsPQPfYsr92c7Q+X684QKSUAsAWdvM8", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2dae580e84ace3d1acca5705467681b0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JiLmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H/OJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2GSNPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VUytvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tcN/vpnwCz587Zm8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "+5sgPxnthj0X2WW+lKe7vs2wgb8VNWE+qvh7PApnuT/0Hi6+gmhVvyGryz824Va/wnO9P7bXJT3yKvM+0ncFvv0QAkAmAZA/xW2svzAPwb/uAkG/9HiGP+oLGr6qzsa/oeSKP0lljr9l2tS/hIUhvhUFEcB62+y+kABOP5i8J0CIRFo+t1cevzbOjr/Q9dk/lz/tP/bQH0DimvM+W42wv9E+ir9iY+C/82AHPymTZkAQYym+FHkRwKM9+r+hJMy+S/h9v1ztKr7FHQZAsb2fPoLnrL9ioQ5A3Murv+nU87/sVPU/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ed95195572ed009f12c88ea020cd4360
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wwTcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yoxnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TpmbvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "I8AZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YtuSvjSF3j5SJ7C+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "UjLAP5Xxbz4qT54+TJerPnpWUr0H9qE/aLkVv0SFIr/KBtE98xDwvijroT/w6pQ/sosTv94fZz+aCbi+Qor3Pn/ZDb8z9w1Ai3h+PRhgDEAWybQ/8SNlP+vefj/111C/KrumPj9zwL//6kq/w+bIv54qg7+DZrU+wN/Wv2XfkT/kUvA/WT64P4qT4765/Ve/xJ6pP8Gq6D8Tc6+/9eMRwElj6j9PZ8o/wtUoP6zHGMC6dna+DOCuv6HUqj+w5nm/k7WovhR79r9pywDAXHsIv8Dsjr8c9CXAtqyQPglrIcAP1iPA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c445963f8616473d384800c540aef97a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dbHRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zLdOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gZYuuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cv1Lvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XqJCvwaeQ7+Lcb69", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "GtvGPv7sSL4S3zo/WSBIv7K/Jr+p6qw/G6LZv4nSg7+QyOk+R4JTv/73Kr+5lBtAcLySvzviTr/ST2+/ZkMrwFPst7+lNCw/3A5zPqK3Wb4raSS//X7KP3Awtz6CR6w/PhyTP2ojgj7o6rS/ZgpjP4j0Kj5CHRnAY1u7PwUomT5JihtAv9sbQGj0h76ikIU/ffD/v/N0zD1ohuq/+lYLwEs3iD/txqy/voLlPzE82T+YlYA/19P1P9V22D/ipyw90vQ9wEYwur6icgLAAhiAvwN+4r+iTbm/63nAvwWZkD4fmDLA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 969f5aefe49665241b9c88d1c267aec1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "srHRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nnpkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UdsGvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ysNCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MQjsvRRcHL9rK3Y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "R8KXPzn68r19ZkK+KS+sPvYhlr/f1/G+ACm8PkWycj9a6gQ/V1xzv7VpXz56ZWI/9eSHvw0CZL/dZjO+zbEVP3HD7L8bbJa/R61Tv8Sgab6imPA/lM8IwF5xkj+Nr3U/HUUbQC8vrjuBxeK+fM46PrOG4j+tITq+hWZEQDrhir9z9ZO/9A5HwKIQij/dyX4+eI4DwCp89z+Yvd4/lW49QOQ4A8AA6iK/rf1mP2vErT+DFLA/vVrPv4paB78BG4a/2Z/JvxWE47+RBVM+Xc4qQFKVm79FMAvA42OEQKJHYb+NZ6C/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 88edd561caa1baffed00e0176926d39e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RSPmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5uZ7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rp5TPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SWeYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/BizvvOrCb9fmAw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Jn5nPzx3Wb49xc099MwhvrpE6r1p26A/n6F5v/njZj9kWOQ+HfMLv3Q6zL8t+Hw/I1c7vV0GJD8CWUy/9OkCwPjmLz/JyqY+3z4tP3eX3b/sluI8pNIBvxQIhj09FM2/PAVGv9wUDUDmg3k/eM/uPp81DsCSgKO/9TWmPSWgKz45BBJAwM72PyqgIj7AGiU+pri/P8AeEcAI1QU/dk39PpFN5j/TALC/AV0+P6MhGEAYGiS/N1Cfv/LQNECfcdA+A+qqPtAmS8Cd2p2/GobAvzju2r9Yx/A+UQgKvypREMCV0u0/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9563cc8fd3c56d1e93bf3195bce82ec9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "m6bRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9Z9Vvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JjTJvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cHk8vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lUiOv4LiZ79Lq4E+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "FoJ1P450NL4FHzq9pAXAPDU1eL8o01+/I95Zv38sqr+JDnU+Jv3TPeN8Eb/Ku5k/gN6GP63+qD8vioy+aXr9P/WoE7/Uwly9GBn6vwqbqL54DjI/ozWOv+oAGcBdxZQ+VXnpvic7Fb+ImQvAalFyv/Uv4j5dZL0/XP4cwGOagj6rpK29TjmWvyiRCT+Egx1AUzsuwFpyUL/8gac/9EkfPyJHgL/jjgNA/zj3PfDj6D+mfRq/gskEQL7E+D9xveW9ugeSvzzBjz4aSwzA0Zl7v33etr9DwijAa1LLPrAZr75CrDTA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1f962be528019d880c05835011f3093a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JJ22ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0m1pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2PHfPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BraCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TWdnPiibUr4TZlo9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "MrpHPyt/qb1oT0K8mG8fvgpTfb6Z4IY/qwyDv4EMrb9OD2M/HQPKv7fxu7/GFgG/Yf6MvwXqPb9LhMG/pgZSPRSPUj7cBaq/NgkZwCQpC8DZICa/3oyuP9yKgb+VTvy9Tx/dP3K9gz8eado+G8HEv/6IU7+RPCDAI65/P3VTEkBRURo/pkWcPtV4CkC+zKo/k0kCv4uLEsArdZU/Tb/qv69Fm79IXs4/3nHQP0AuQUDFr2k/JvgPQDQILz/5rao/khsfQFimlT/eP7S+TOSTvr+znz8jd6q/9SJCPwAM2T1KWArA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9a71b62299ce965652d767176caf0baf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dirJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "G7hzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "y4OUPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AP2evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+8uOPmA8474kuay+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "O7AhP+KqL74o1ek+5UWLvmWPNb/HXfG+rd6sPjGOwL9Iw7y/GPdkP2QrFcBuioC/iGq+vS/1Nj/ptr8/ZR7AvzBkHD9xp8U/KlCkPwA/dL+eGV4/EuTzv49sLT/I/B0/r3GIPxy4aL/5BwPA5vg/v6V1AsBG4BjAy6P0v0h4qD9QPwlAx5mpPwJykT8vJK08hhz2Pr219T92SWI/p9G7v7S6KMARH+m/OUadPkz5Gz9o1yBAMJmZP+4ysz+tiYS/EQSlv8mgm78FYzfAS7oYQDMhmz8YRpU+Ga2gvtWeKsBM8ErA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9521404ffd770a4233fab25650be41ec
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZyHmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lx59vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CoKHPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zm+gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gSFrvqzFl77Vz3s/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "POOFP4zBAb5IHaE+ogrWPJQX0j6qmzm/Kgsiv/IToz84irg+Kn1UvwrjCr9ZwcS/JLffPmG5Tj+du7A/dyMYP2gNhj8DX7S/XKmBv0BCAT86XMo/SGqnv4ZSo7+MumC/4erQv6t4+jz5AgLAq5LGv9w7Sr/JHr4/BG6Dv6tGEUAwkUM+O6efv8dbpr9unA9AF5yYPAXWlb8Dgh/A5nb2vpvd7r98bzvAI+x0P4xDmb/8AAo/Ud2CP4Ylsj8ORAVApDK/vwmrjz+2zhVAyzAXQPvHVD4urJK9ng0+QCOkDL6oORc/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 33b65cd8fd43e910841b61ac7c7cb34d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8Mnsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gNMrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5lwKvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "si0jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "16OUvwLUFD924Hw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "1Kl2PxC/FL4QV4S+AiVvPbRfE79OYTo/jfKev03f9r3ys04/zaMOP3iixr+r4Ng/FXPfPo/0RT9vUKC/ZT7avwJaRj9nUOy9IYnCPzNW879f/Kk/VFYCwIsDML9u1Oc/rwzOvxv5NL9uqi5AzZIIQBmYCb+c14a+X3w8wMMUfr5DTu4/yG5bvxuxmj9Iy5S/nyAuwDwPkj8kmyK93sSqP7G7jD/yAhHAbSSfvyDp8z8jOPO/l700PxIbjL/neStAqDESQCajXj/yAgDALxOfP6j7AUC6KSnAHbwYvio8GMAdh+Q/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 98561a6685cbda2853a8351aba76a03d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jqPuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BvV9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cnApvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6phTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6s+evudvIj6qDrk9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "2TQjPzQaN74Mlzm+BYG0vqGHaL6jZ7G/lhFqv2vtx78ArHe/XL6xv/BcWD9m6c2/PLcWwA0q6j5cQADA/O8zPl9ltL75qxXAFSv2vIbgvL/3AIs+ABAwP0PLgD/s2kU/eAC/v1q5q7+taME+PQUBP5S7FcD4/iU/O6H5v2C2xL6qmx4/IywDwADgDMBszzs/hiTTP5JExr5BRwi/aIubv8l3AUAtNrS/ouSUvg/anT/okps/zL/UP4MkTD+ODfQ/qKV2P/fp9j8tWnw+DcgUQL8vTL6aGQRArFzePw4V0z8SnSdA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a62fb27ac53e299e55e7efaa45bb99b4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "a7X4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KPF5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "d9dZPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gzOYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PPc2P11Qbz8Y7AY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DrcLP4wxa70bZgi+V0ZTvyeBJD9dq52+1SK4v3wU4L63RR0/EAhnvAaGLb9k55c/Vprgv7lHpb/nTjA8GHA2P1ShhL8GaJG/iV/jP4TsUz/n5IW9twshwGEm673zVbo/kMU9PuKsQ70w1wNAYImPPlAw2r/mW7M/yZLNP5PzsL80K4G/eA9MvzNYzD+fkYA+idTWP6RCyD8OoT4/6USiv4yZUz9xjc+/n8sOwONOFD8x0wNAuATwPybRrj+DToK/j4kMwOx1ij/a48u/DAI5QCxiE72W0B0+gXxsQFfD0z7ekfG9", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a43a807b4fbd851e66795ddddb877a2a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cRm/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EVRtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cTpJPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uOd5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zEAlv/Z/Tr78442/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "MQIcP8bGN7ygt44+Ae72vlYwHT3iZJw/0V/fv/IknzrNiuY+oYyWPQGa/j0dFI+/nTC4v0gtyj3HBYK/GjemvxRumb/NfJg/wd/kPxQRM74OlzM/ugFpv8+dAsCH7x8/IZ45QEnePr74UmW+2Z4/v+nZrj+B4bW/TLkYP8iktb71lPe/y0AjwPvHGz/Hzlo/K/ACwFCA374Ia96/rxEqQG93zD3W3KC/53tWQFDBl78TYHW+/AhrQE6n/j7fqRM+aes2v2g/DEBuyTe/9izhvwJcur+E6whASy1OvyG01D9glB3A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 66ed5a625f54a908a7775b4234580ddb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nLnsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H/J2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "otMzvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Nv1Jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ybAyvwdfKL8buyw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ZgIIP6jwHr0SooY9O0Ijv0CcSr+7ZxA/ZYfLvxDyr7+PteC+oWnWP9kQvj7AKzE/+o0ZP8vguj6NTpq/VmkAwCE2hr6y/8g+gRyxv1jWl79bwL6/dlHPvtZfvr/57/E/lYgPwBZDhD88g3G+Uj0AQF8rdT7dkNo/yUMDwOF0FcDkaWS+M0/Pv/AHnj8V0I6/F7AbQPHMhD8gfHO+0QvuP/SZiD/A9qy/1lrVPus0DcBLMek/VM0EwPVU6T8+ZQA/RaErvhqgQ79/TCtAMQWov3jrAMC/7wtAbLtSwEkGiT/YzQm/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 46adac465b9dc7a5c906bbd5fa660262
username: gastegger
key_value_pairs: {}
data:
  {"energy": "aibmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wciDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kjssvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "noJcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "14Y6v/WERb7o9sK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "JUtkPyUrTj6cGiE+MWDEvoKoET/MaHw/USqQv8CzF7/vL5s+o5oqvf6EGb/GDFC/Eyq7vjyTiTu7QtW/5leKvxXMwb+Bf2Y/R1m8PtmBxr+DuZO/5pocwKO3lL5Wska9iMpQvzBEwz9ury0/B4dIwGSbr78ZpCS/SJUqwGnr17+VJMu/ERyCvogOCz95WQRALSxLwNJ+D8AZges8ctKEwPCohL/d5lm/V4DQP4+9rT+Y6Ou+naOBPwrpBECy1oS/HcQ0QIGOvz9zGa6+bO7jPzvHHr/eC1w/gAUqQCluXb4TUj8/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 546b9c1e022ce18024bf493c95d00a73
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5ZXTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Z5llvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+feZPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Zth4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Hy6ZvlFOND8YCTW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "pKQFP03mpT2A9T8+449Yv1eoHD+IJnm+W7Tbv4mFB79LnsO+388mwJxZWL6IhxC/9HIWv0ezoz91P8+/t+09P/KrND/QKgPAwaqrPyD4az3hY4a/1hkhP7Vcc7+5+6Q//rSSP/+KVz8m5ELAWOaiv1Fvpz887fg+SCYUQNxW1b6NYYy/46SRP8jg3j65FsU/gNYKv6DbF0BvLMS/QgwGv85Irb90zfo/zVSvPy5q3r/AcpI/5bWbv8j+tr+vz6Q/aJizv+dChj+wIhTAj78KP9tWhj/bMQ1AykENQDyyHD/cDco/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b7aa1a3d7e507b794932fae76221ae97
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DBm/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "g09Tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wTmjPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MnaSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fjUHvuNTIL7CUYK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "bkmoP0BeHD6leM49xzn4PhCGnj9usfK+cE0FP8+xkb9u5le+vXdzPy2B071NU8g/hc5mvn3sbb8c140/uKwWQNs5jz7fx1i+nf4zP3h6Qj/4HAxAYCuCvuAPYr9amr+/8oWrv5nVoDvtomA/l7nqvidKHz+nybi/DDWIP2VmBcAJqzi+Ikdzv8Daiz9EA/+9HX7Pv/n+4D63ues/VcYNwO6wDL9ZVAQ/SGHWP91EPL8JigVAdvUnv6mylj+DvxbAqxCZv91puL/S9sW/+3+9v0CLAkAF3XO9itmxPr2Zlr89QBfA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 17cfd0c32f56655eaf40c9877cc039bc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Gi7Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AON5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OpRhPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BySZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mnxDP807vr4YQzk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "vvz7PpPKCr/Y0Rq+3bwSv+V8Ijx0bVs/bBz0v/t+hr5N2w0+EBfDv1RxoL/SeHa/bbUPwB9hLj/UtZe+5+grwEluI79qCE4/YXgCv1Q/Eb/tQuU/WmxQviAuY79C0qu/XpPovgH5sT9mZJA/SqzFv8CnEsCOaBe/Og8KwPhQmb9D7Oy/mOPyPo+Pwz+8/rA/8xJyP3jxub8/5Y8+T/PLP5kK5T5siAK/rOmPP9pUqj8oUXO/9uEPQK4XALsnbaK/Y8gSQJHqXT8aejc/sQwzQI+MrD3D0Y8/I0M/QBR3yT+zjAA/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 48e4b25cbec13c5f7b2783f9a728b341
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MprTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wf57vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AUwZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "watVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nL9hPwIOwT7d77A+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "t9FdP23STbyJF0G9F561vsJM7z3G4IC/VGaYv+fd5T5jqGk+yFXkvbHJcr0Ce5k/JwS9P+E2ZT+xyQC8htfeP2DanL8CHEy+xI8NwL7ihj8PSM0+dEelvotnjb9yT7o/hFO3P5VNDcB0ilS/+WQcv1M0ZL92qq2/BVwtQOyzl7+mMLI+eXgzPkGPQz/zXhxAqdrQPip55j9KvwtA7ASCPzQStj4tvUBAAOervmXNjT8kOwrAYuIGvbqYBkC2FOm/M061PrF7ST9ufzzAOgE0v5UcRj9DCUZALKuqv08RmT9VRibA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e45449d551f3b6e6875d448e62412597
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5Tjkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dHp+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "i8YaPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "C5aSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cTiHPx+AlL/5MX6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "BC3KP2tm3bsMNIe+1IVbP4Lro78yNEk9MD2zP7kQ0L5A+Y0/5j4QQPMnRL8K98I/3PtzPyPUlT+0dRy/FMokQOz767116DS/nW1BPytFpz/6fgDAtN8jvxQsw7/0O0A8tUe1PwpBDMByICu+29XZP8Zjmz923iPASJa8v6zc4L4zYsa+VvwzPYu3Dz+phRjAk2ayPpWIE0AG8grAN6VVv69vE8DXMDu/mvj3v7mu2z6vtQ8/U9fGvxnYJD9bz94/gsoxwHCoeT+JxQg+dywzv1IACz40SP0/iJ94vyAU87+WQX0/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e9b7e3b1166c1bf4715fa80c88f19c7c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "u54AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "56ppvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8N7RvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CW9Pvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sP4/P1XZt73aOEI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "rvEPP+CPUr2hVyE9XXFPv8SArz5mCw0/9s6NP0+/q78+NS8/InLVP8hTTb3ZvY8/P6ysP5EUsz4P8QRAnl/Tv8xgYT9cXre+C+yiv6DUhT9mWqS/YyiEP0srcj4Lqaq/55o+wH7xqz/0fYG7/PfEPr7L6L+Yr6s/3qbLPswIUD/ShgzA51PsP8fuC8BCMxS+xECMv0ZoGD6FUd0/yIcEQJjdsr1eHsS/V4UqQPoyVT52ZUg/GpojQO3PJMAPP8E+wSlNwMMwfT9JIIA/H1VCwHf/G0DqYHe8zx5uwCIdcz+HPTS/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 63457491b4a681f3511da978dc545e33
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5yDmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GHdzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kZhgPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ns6Vvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iZgSPeF/Kz64I4y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "KotHPzQDEj2SPv++5aydvnMElT56xAc/zokuPznGf7/AQF2/rJzPv4MDdLxNI828D1Thv3zujb8DQGQ/iF3pvjNDTL/c48o/DWd6vlthqT8XumU/pOmuPjfft78AD/g/DIHjv332Hb8PWRNAK2MKwJ13wD6uJSFAsDgpP0XHeD9l1di/j54NwNCHAcA2PQc/kmv+v/n1rr87vUNAmsiSvgdPSz9/4w3AVaQvP8znAEBFIay/vVkBQOQZZT6yaSE+SeXkP2QtMD/DbiHAtSTwP3hFsT9GZ0vAjpcrQL/Nlz5wJgu/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f8eb12fe7673b5cbf8e175e1f45286e6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9JDTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "61N+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BB2tPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xvuJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OShhPrJLVD2wA6c+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DffaPt5xlzu7UjG99nZvv3m4/D2z1lO/juqLvvcHf78F3m4/eMi2v1DXk7+K7sq9RgWvPr3V8b+eUog/e9G+vzbWgT/JeAe/3oenvwycAsCPOTq/mV0vv/3B2r4nMhJAhFxZv6goCj6tFA7Ay54cwJJpkb/k05U+SteCP+MHnD+Q1PQ+Ve+kv6dx9T5XQgtAzPitP0ipPb+GPFW/Nb3uP8B0270ob62/xaF1vlWNE79zYR3Aa+BAPlsxML6T/zhAN6/AP/KVD0CGc2I/tQ6kv9qGlL+reTVA51n3P1ViSUDR2p8/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 946e5330a8245a581ff8893426ea983c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "i6Duww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "F9Ztvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/KrcvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uEBSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "85PKvtB+ND/PFPq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "VP0VP92Qfj6qtIy+XakUv8dEcD+wLAE/M+bovjFhJr9COIC/eypSPy8R0D8vmnW/nkjhPxup276ZvLI+0K3MvzDKNLyg/Bu+PSIAQJXb0r5rFMQ/EqvRvqkaO7/c0gXASyvQvtSNCkAZ46K+2aUbQLXndL+IRbu+S4h2vnX4P0BGWmw+7ZpLP00s0T9iggPAZ1IgwPqu3D4QFxC/T7IWvyxfiD82Ycs//0rgP0ptBkCnEiG/WTocv+ON9b98YbG+uKnWv84AtL98Z/0+TV22v28Vu78gucc/ChsnwNuL+b/kaaI+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b00c73c157f64d8262c7e4fc6526c56a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XJTTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IbF9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gQQFvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AXBcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bsDXPqziJT/QD2u/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "t73jPhheNj5Clfg9ym8Wv+u6jj+No/6+qP8HPzpLzz+YttM+JkT7vzPviT/3Pzw941gOwGMxaz8+Bpw/ZhAAv8fmpz8Wxse/qoJdPs0R+j8ly7I//RdEPql9fb8gCYg/AgO2P23cPb/ynh2/L0aoP04aDUBqm2a9QYQxwOXHmD8HhDS/NFyKP5Gk6b9Q1ZA+w55Tvxersb/urow/ZE6VP9Jdi79XUwTARQwOP0EDWL+qjAVAzrf2PS+yrr9qXw7AVLu0P1KEd77t5y3AUsjlP+9i97+QWxfAOh0eQL4m4b57rvO+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4bceccd9289a1f3c417b3a1ec2ce2cdb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rJPTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "C+9yvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pIy4OQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UUtzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ob6lPnztWb5qvAQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "BxtlPz7vgLzfED08j6aNvlaO0b7DeHg/D5vVPhRoeb5LFam/cGgTvyW1nr9I7qO/PzGLv6N9sL/YAwA+2jL7v0VXRr9GLnW/71bJvtp2BcBG4fe/WWmtv6OyFcDGSQw/HN0IwOsNlj4+LWy/mRozwDbsr7+8h6a/rhKrP+E+tD/HQBE+voMJPoQBbL/47Ow/YJfeP5FSMb8D3lw+PLElPzO/CEAmD46+MCAdQBgf5j8H/j4/aE9KQCh4ij+NF5Q/oqstQOYhNkBwilk/K2eKv2PhLz/mLbA/M3YDv7d0qD8lD+s/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f1b27bad842543b46c6aed8ad4b947db
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZKTRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5Slrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qBiHPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HFuXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QNlMv73jFL2Sy+8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "9MlRP21zRrlpYAG/QJr7vnMVKj/bIXu/Fydbvz2DZT+SMQE/+HL9PkEqmz7HIXE/6EZJv6Adwr62GKc/TLODv26vq7/V5Fg/nsOWPzxqJz8MYdo/Xc+uv5h64T/hHmo/aq2Ov5lKkb5UZSpAe4UEwON0Rr53JC9AytGqv2o8ub10qvG/geHEP1uKlL8jXIm/jpAFQPzgWD7ZOZi/OCLcv+kIab+l77a/dsgHwLPR7z4T4AzAtneZP9Qcy79FyADAmKIAQGPi7b/7v8W+WDg1QOf+sD4KHAK/Ll53vhHYzj8KsLq/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 90b538090f4b474e5d64fe27e4cda7da
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iykVxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YsCCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ja04PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "B9aZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cv7Gvu/Jg71sQ/U+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAkAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "zd3wPiRwaTu9k+s92N0Xv2dGVz8OeEQ/g5PDvvRQfz9qKOs/a5Xov4H+cj4CjRE/ubeEPuojHL/b6qC/FXgWv424BkBe+kU+kII5wDv9YD+H050/DFVCwNwv8z8POV0/KzYxv5D06b4UheC/4qSqPpcCwL9Ltgm9Db0uwI4haD8+WBRAtM4Pv8a9/7+QGKQ+saFywIRllD6ZzII/qFniP+C+3j5kds0+4vGvP3RhGL9tHgbAD0oLQP5FKD/NHea+2UfvP9Ljs7+DyvK/oVbBP2dID8ChMc89bZIJQGTq0r+Zrgc/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9af6a9e483583304a96527895de77838
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O6zRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7ZpQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "X5b2PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uW1vvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tJOxPhAGHr4s8Qg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "CLJTP6YJuj09Vo2+NYBqvsxaeT8iQW+/rnvFPXvhL7+BiUU/tpLwP5NA/b7nBJC/VxEQQJ1j9j56RbK9J42Uv+Csdb4d3mk/47C7vzwLaT9HMxw7P5dCP6170r/508M/fUUmQCsmuD/RiO6++LLIv7ma7D+ekRI/VXQwQIpKBj5T+04/xq/xv1fwHL9s5M8/onS4P8eGDMCyQ4M/oe4Cv3TpCj/k/PK/zYAHQIKBuL+8uVa/30sswG8lKj+uwjC/4/QCPmj6/j8r/Y2/bS0+wCOWvj9YB42/Az4cPhl8D8AtowRA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 37874119536bf0897abf139f2128d523
username: gastegger
key_value_pairs: {}
data:
  {"energy": "opwAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yGCFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oDgAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aLNqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/g4dv4eKqT+wA2c8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "5I8nP2uo5jz7whc94AcGvyNLXL9s9uE+o+oLPbkYjD9PCmK/aNe6v6hsgz9xehK/A0rkv9lGdL7D0gs++MUyPu9XSz+VsPa/3zsbP0+HGEDWd02/R+/zv9OciT8hi1U/IOHhvvMh+780YWw/6mvgPqFYL0CIl509k6KEPzSX/z455HM/LgyYv2cjpj+bRs8/CmE7wF3drD9nwYg/GyYKwMNepz+5La2/KoPnP6H3SL8t9BC/EwG5P4C/p79Ciru/jG0mQP+tzb0ovWK/aesXQCgu1r8c+7s+9LjSP7cxDcBx9jc/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 42f1293237831d87f0fe5e04c6f83035
username: gastegger
key_value_pairs: {}
data:
  {"energy": "B0Dkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "P+Zzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QdOSPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VCCDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HHzhvfBtej7W4lM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "+rYdP1zZLz0Y3Zk+ekZyPY2+S77G+cM/cJiuvonKbj9KivC+IfTaP00rzr4YAAO+DnWTv/VCDT/SOM4/+qfFv8zlVj+N+Zg+6gkav40M+T47qPS/+ZD1vx7/W734awZAXq4VPZzz+z99++u+9xSMv61ZX792yATAzEKtPk9OGD/CbB3ASwwjQHLJnb8TJTk/4TOpv3d6lz/ulxbANb0IQPlTtb+zXNw/ajN1v4QEvD+ZJgxAaEPEvhMwxL8jL+O/vswtQL1xDMDPbWk+ashhQCmgQb9r71M/Vo3zv9wygr9jC72/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1946195bbd7c526d1f1453228048276c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DiTmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MXh4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qZ93PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DjCbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "taapvoIc9L614PU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "QqgOP0bXGb2OkR291/4yv/Vm/r3ft3m/qf+7vOCQob8nqkc/zh2Pv1/7ub/O+5a+0l/HPvM3Xj8c2Zc/q6/iPyn3RLzvZjW/4yXQvshUiL7Ha/Q/29YSP94YCMCm3Yg/1a99vplOBkDRnWw/B1xgvncWKUB91ts/5dYJwCLWxL+q8zc930/HP8jQ5z3YrtK/QPmxv5fFNT9Cjlm/1JuvPxjYgT9exNM/CTW9vyPmZr2GJfw/On9nv4i2E8AGk3K/5cguvc7KBb/o+jlAWSa8vn9RN76RmRbALq4qvp/0i7/ZIiXA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2d13252346f3efecd570c57f2c8a2880
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kQqkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Mqtnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PC+VPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GlF6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KlLxPnCZU76jWM4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "wyKFP+xhZL2TRPE9Ps3ovdGohL6lDmC/z/vZPvQAMD+RT6s/wnesv5OluD2NTvu9Z3W3P75lg7/J+d8+r/SHv8ekGT/JfIk/d3Llvyaxcj9YBuY/esg5P41h3z+Ma6k/NgBZvYXqob+akPu/fZlZP71o0T3JLyxAMt4UvZ5CLz7hpxLAV+tpPw6p7j7HVyDAIO4PP42Uc7/y9zBA1JL3P9MSLD5j4DRArarBPlB4Iz/ORWFAX6nvP3us/T6+Aam+LpRdPwtc679bUQTAAg9zv7jH5b8ashHA24IVwKk9Ib0h4wu/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1398b22aec05bc1399ea189b0a32d5f9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "b6ruww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "A9B4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5zg3PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ySGCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cHyhv5kqCD8AkZK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "fm5TP4WKaT0T6ZC+qI7Pvjz6cbw1wJO/+PDFv6Y2KD8LHaW+JuDFPnIlDj/6WIs/OrRxv+qfWz+z03o/RI0awI9oH7/ccve+xqiFvljiyD4E6wnAqnW5vzQHnD+YKeM/TR7iPzOxgb8fe5e+4XCZv7/Brb8luY6/o20NQGHcjD66tji/KJs7v9SFBsAlbu++Nob9v6awyj9CdDW/V0+wvwib6L/EnAXArKQaQNaQvz6OoeS/nFuKP29TKz+3yQRAAf4zwLXOhL8w4OM+VKE5QIoNRT+FSCu9E2hPwBPa875mcZe/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 128ea49f6c0866b27769a880f7d6dd23
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NKjRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VDZcvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hleSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DLGSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gCshP5NXN7+TxiC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "6sPDPljWsb4Nja09dN8lvzV2rr80WkK9yi3vvyzsL79ZbwW/8K+1vjewYz+CGAM/4bnHP1PVc76oyli/MQ/hP1pENr8l5hQ/MMD+P3IW4b8Of0A/ePPQP0eof7/KRNC/Cqj+P4/nhD8ppZy/B4e+vkVwCcDm6x+/N988QAQ8iD9P9pW/E9HjvyS7LD/k4BU+F/MOQCVgpbxheKI/b3zzv0BlCr/we86/vUqwv3gQOT+UXMc/WfOpv4SjY740kfc/svYbwO3zuz9GHkW+y8MbPg8R7D9b/Os+nkEwwA3dob9NLG2+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 756a97dfd916039aaaf7ba1e1dc55e7c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fhLcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ksyKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lUZMuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BTSJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qivPPrIRmL9iSrC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "n7FvP0+njL75z/28bqOJvpn/yD6uTTc/cy7+PO+d2L6GN6G/16OSvyZEkT7YYg+/snykvGbUyr/iPQ3AuvPMvscFP7++Gcs/2IBIPyF0sL/TVIM/aLTlPo4jbb7V7SvAPZ4SP3e7GMAVric/CAY4P+PDF8BbCAbArWn0PwGiST4KoyC+BU0DwJEdm7603Mm+3PSzv8cxoD9Z2X6/+KvAP/Nfzr3DSznADN9+v42S9796wyHABrdVvu891D8dILY/B3YMvpYGK0CNvPw/JOdUvk5srj5QV1XA6nvLP7t8tb/UEeI/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 99eac40c151dfaa4b9c5a5777dbcd50d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HKfuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eAl+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Eaj+vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "djRevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SRF5P2u3Pb/XNF+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "3PT/PpiUFz+wV2M+OendvnROy77O320/2IpGPq71AUDoO+49OIdjP0OTJUDAfg+/Bfkxv24UJkDoYjQ/PwOAP+L9P76ZRXe/rgxCv9AEAb5ZPPc/HBH2P27MJD7MLNg9x/aaPr4Sxr/vW1S/iT3Mv3QY+75Nxqc9j3ODPnmq37/YtDM/o1KYv7fsnr+8Toq/5SgfQBtRdj9ywDO+NKONP2GzjD4Tsfi/OEquv9R1JL8pvv2/4SDlv4v9CcDyc5O/hPI2Pz/gFsC1S7e/wGOeP8TK6r/r6pQ/MxPEvlEUJcARCoA/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 42579a740c3a658a524f7556f264b9ff
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5bG0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WDlkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+BcBPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qz+Cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Zr2kPwN9Yr5d3Ja+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "iazLP56RHr5GDp4+xiM8P17dlj5Xn0i/n6Yfv9o2x776wlW/Ti7Qv3ZDjbjkiSo+zcLEP4KwyD6p6cY/DsYnP3/loD8qQfI/mSIZv74k7r8r0Je/bMsUQPpeRzwlvg1AYuC3PNikGsCSAfO+bJzNvyW2EcCtf5K/2EtFvu98AcBEPwzA3fGevwGxOz/uMUM/vxLkv2tJ7D6UB5y/VMUVQC4uS7+axuM9/jJLPzCNxj+9uDZA7MgYP/fzrz+0Yyy/7AyjP3CG7z1WPty/fl3Mvy8DwT/xzbm/Y2QnwEVoxjzkmOG/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 81bda4e37088b9855330f71742e6d96c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YJwAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rP6Avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LhoyvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zHZVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qmA0vtBhvjwNbGW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "CqU8P0WWFL6jrjW75CUav1LqLL8Bq/E+L9/9PrC1aT8iI4a/ubBrP5hqpT9I3pc+b7D2P8tmuz8O2JM++Ej5P4V1fb/1E9a92RziP91rBcA/sOu9AF/Rvwo1vz4/UhS9MFZEQN+6CL9DUzq+yMZ+v9aqgj80qqS/mYehvzmc5T4wwQvAReuZP/Ougz8ale6/rTjev02hkD9++j4/2hA8wBdyBL66R2q+mp+qv2okA0D0Qri/WiNNv6zj0b/on4C8oIErv5zbbr8SsO0/0//fvlcr6r1U9xNAASQ6wAEvUb9cI2e/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 64c85c888cd289589b9d6616687a9bbe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WiXmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fqeBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AWwAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/DNjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vCJYviGTqL9+xg0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "TDN3P5ppjT5W9Xu9tMfUvS3MKb9GXRi/HlNlv0YqL74ppJO/y70Sv0kb7r+AyC4+iU1zPoRaA8A1Gou/I4OhP3DiGMAIkXm/sdPDPmnWsD+a7Vk/KEKTvfodBsCbL44/itD5vxD9BcAdMCs+3ysGwPHtQsDjgxo+Ws/5vRy1Zz8G49k/7S0bv3HvEEA/tfk93leaP1UdAECaUZs/tTK6P2beQz+1Umm/eh+TvqAOGsAOsvu/uNoAQAjd075w7ho/4s/RvwsZ7j8m9Rw9xA2kvkQhVUCo6Lq+qMTYP+EmMr/8Dbw/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 734886b35cb6c82c0660ab0797a2af6b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QYnTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2Qdpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dNCFPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CviVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9n9uPq00qT7ufN++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "d91nvgpfUj5xAEY9F82Yv+97Ab8yQkk/49epv9lw8b/JJP0+UjzWv1wMBMDXSge/xSHBvjneGsCRaCM/g7kDwGcXEsBI7Jk/SiY6vzo5Gj9gvqq/AE7RPk8Pqz/By2E//93evzvPgT9gh52/+XKXvYWCsT8s5d6/wQ2fP80tj74sFhM+Jge8P6k/2D6Dlrw/sa/jP2DvkT9vFIM+HNgkQLHL3T+oNB6+Svj2P44cbD6dNRtAQFnhP9Ipkr+Un4K+UpDnu2JAD0BwNKg/cHg4v9lmDL8RSgvA56CTv3IKpb74S0DA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5fcbbd7d013d946d60a9bce50b89836a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FJ4AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Z2V7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kiRIvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QlxJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jzYOvB4byT+1MjE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APwIRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "OHUjP9xb3zxnbHo+GMEpv+S0Hz4sVA6/ni66v5SfAj+Hafw9TCCMv5z8nb85IYK/hFkHvx9+jT9eYuC/whmFv2u/zL8bmwrANji4P7Doqr4+zdC+fNwUP68nSL+d38g/v16EPmivPD+xnBrAtIuMP8kenD+XzpE/PwMkvt9AG0BfJLC/qIWHP0rulD4dlRFAcTFxvxPeN0D02IS/0jKdPyL8zz7I11BAjZ64v/wD9L+sYVS+/dbBPuZnAkAtR5o/mBB5Pjhs8r9ngvE/PLEFQJKQzz8kjWo/pk26v8wEjD+LuhXA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 851d605c6fdf082e71a32b2b13187837
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DD7kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Dkp4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lfAEPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GsOMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "by+JPn7GdT+9AI+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Dh67P+9BVb4BX10+oBoOPwJb8L4x9rU/Wf1avy6K8b5RxYg/IfSzP1rrhr8hK/q+Xj6LP8Nshz+8Ls6+2OofQJlmB749Yg8/8yg4PpcIgz8ZhsC/nNs7P/Qjmz78RwtAwqVGP1P8uL8V0u0/hyXNPw7Gsz9tnt2/U1MPQLInMD/u8w/AM0OjvzRUyj7dekQ/nSUFvsl4Jz2A5O6/P9fPv/TUy7+UPIo/bDCfv8YdLcAOjLE/tqcqwMEQsL+vQUY/oqTvP9O4HEDYdO2/oZ5bv3jg+T/hVbW/IWegv2UsA0BvjRLA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dc1e88151aa8bee70f71d4b60aa4d93d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/0bkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8nqAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oPzdvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UDZlvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oiiAvngLNL+ph7i+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ypcpPh25Nr4/NBo9neqCv4SAar8b6QQ+Xdf7vyXqD78ecU4/10eNv+JoDcCj5Sq/E0BpvxayA8Auyt2/bdrFPk29hz9DdjA/XUoZv9vfyj8UBNo/hBWzPyfa1j9uStU+n1DHv5Uq6D/b+50/WZ5PvyfZWD8AmR5AmmOlP/MCGr8O9li/WsKYP+7O1b/EQoK/kLcjvp8TH0AdgQhA7zkNQJHY2r56kpC+9VW0P7rBpz0e9AbAcILGvk7gPMCk55q+Ci8HwARLJsC1Uwm/ESMQP6R/nTsUbirAm9HLP1BsiD/1F/m/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a39a5199e909e1c09134510d1fa5709b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O/rAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3T9mvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rmWSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WrmXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "058dv6vPdT73r6y8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "M0M5P7S+C74Wgpm+4CEmv8QBD79lSjo+o+TOv78g3D6pYv++82hIvzaKuT9tIcM+XnQ0P20VrT+pn7K9dwlIv6y9oj4v1ro/VCd+P6zrPT89ibu/7NnMv5O1Az97Acu/IxqoP4hVr7+1Uu09VYu5Pyk2/T/Kycc+Nhj+vHeq+7/Gukc+l4ApwK4+wT5Qlxa+9HxsvqEHJcCF9jC/4XiXv7NPHEDgfhY/2NCiPn2hWT/c4hPA11FLPW+ymD5ZzgpA/Ibev7GWSD4pyPw/oLkdvpb/I8CRII0/U74CQHUQTT9A4N6/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5013f184f26177d34ea475b13f9a577e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ApTTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mlx8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qFfKvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pRFjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bcXuPmg/wj670Iw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "PkB+P5j5Xz7VqbS9IdpwPXPL0z5FEqq/Pq81v8icwj+SfA+/LZEsv8KhTb/9pOe/Fibsvx+bg79pPM6/RrslPxEdUD9MYArAr0m9PnMswD8UBRA/2bcpPJpiMD9Csuk/kDjSPp4/H78EV4o/sHZvP3omG0B79DA/cMCBv1OVRD9v4gxAjz02P7UeYD8+MSlAVuPZv6mFmT+JXHG+kNADQNwqij2JUIG+mjQkvcwFxb8jyhbAl09PvwGyHUAJqYy/aFPnvjVdnr/PEUs/LRe1Pw+YtL//ddc//v6CP6bw8b+89hpA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e6c3af92fd1c4b95e5bce8ba3b9ac577
username: gastegger
key_value_pairs: {}
data:
  {"energy": "txPcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "elRsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "g2mYvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SkdZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Px3PvVfPyb956VY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ezZdPzbB+z07qHq9Vq2wvrLEbz/gyv6+DzaZPlkrhL8CPDs/rgjBv5m30z4mj5I+N30HQKcW1T0LbFi/ivuAv/WC9r546LI/fxHnv9iyjL+iuZE+PLYbv4Ng9b+AAEO+372cv4WasL52tBxAnjYCQPCwaT8qBsM+uLWCP5V3x7/TmK0/wl0fQJEO2D70DZM/neQ1wLzjtL+VE5A++SIKQJPPLz/mYuG/HIoXwJYNhz+e9dw+a28tQG+WTr8oVFa/YL29vgYk979dI6G/WNWuvlyZ7D+b7KS/gQArvzxmPMCc0TU+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ef7f5eedc42ed244a6668e004ba67604
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2pcAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WRdnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OQllPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1CyQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FNC0vmb3hL7izE8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "xtM3P+zTDz8pory+LAb+vidIVj+yiws/IH1NPSmTaT4zsdC/4cbEvlEbd7+IP3W/zRmbv8SgBr/OY5c+tzdoP2Msfb91wwm+D/nnPxxAyj/hTfS+yrJVvl63aj9KxMw/wdYtPz4Jwb8ntJM/VvvmP+fftb9tSxO/lPCWvzqw/T+HW7g9kTKyP1Y5I0D9DUG/ijPmv6RkEECw00U/ELcUQNbI1z/A+fc+Z9ciQBZNpD8Mt52/YRQTwNch+743RGI+XO1Av1Rw4b/NKM2/s/pGv1jItb/BL7A/wd2Lv0O9F8CXnpU/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1c26031428890b4c45c93f491ef587c7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8Lb4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZjN3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Vb4nPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fpGQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xuE0P1CqNb9eLo4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "8PmBP64wKz1gpjm+PlebvbbwCj+VrJS/Zi6Uv+HFGj6Batu9dBvUvR2Pwr15NQPAiojCvbZJO7+v0Rs/xd2AvfqW8D+Gvse/zR/zvv5pF0AVpFS/YiuwPxA6Yj88wdg+XFbBv2ywpT/GjCU/lpMDwBNpt76Fy/C+Az+cvzS9jz+W+sY//z8EQHRfML8AFkS/syg2QEpDI79gblO+18A2vsN4DcBjSo4+Rswcvtog/75b2wBA6C2Gvq21F8CS5Ey/yf45P624LsCj0Bs/CDstPzFHRb8TvhpATACGvyXcKcDEgUU/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5ef04e2363e235e00f44cf61d4f5db39
username: gastegger
key_value_pairs: {}
data:
  {"energy": "H5jTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "j8Rrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/0IPuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "g4dpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HjPAvkpGVj+9OoO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "jitGP7WTLT42XZG9C3D5vpuCjD9BxTW98S2kv6C4R77Qp9q+5BRkvuBnZb+AVuQ+f7g3v8g/9b5iweq//0ZPP37aXL4pmsi/MNu2PxqXjL99W9+/LCA0v9KAyT+WW6E/8LgAv05R8z8kLUu/zqYWwK6Zlr5fFYS+8DMDQMsvAj/N4yY/3j1HvjVu5L8sYp8/VaLOv0QL8D9Ybas/9kOaPwBXGT9HhwvAcqeQvyypTz4XQSXATEhrv6EEwL/zhArAAtTqP52AWT+xZtU/btwmQJTppT8Bagk+QYMsQEm0vr7lQTg/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6ba2334ad548943d379c74a3c5329926
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IJHTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qKt7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "roGNPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QDahvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fO0Zv8x6oT4vqE++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DeBvP8wmVb09fxW8HOnovjwMFb+7vAu/VIx1v74nNr9Gk2E/SwI+v+W/UD851JS/P8YqPyJ0pj+V2TK/2gPBPh+MH74OZ7M/oFzovIgryb+X+9c/Muv5PnyzGcBuMJs/Sl/7v0AF777h6Zo/R4mxvqgV4r8PLy1Az+//vsJq2L+MwrO/3UDyP/maCb8F/1y+hUIGP0qhFD/2hgtAm3jKvwr6rT8ulji/2q+0vyzs/79WK7q/yZQ9PyJvGUDVNz8+rgqrP3EEuT/IRMe/Ak0GP8S3TEAW05m+kzJbv2+hRz+O4A/A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8b36e30872d6aea1a41a54eb046f54bf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tqbuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "oHCGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vOeAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ym1Mvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TiikP9C48L3Mf1A/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "KphRP5Pzh73Pegu+xGT5vlyduL5mQia/VPVevxpqn7/WSQC+5MXGPxEcjL+BTLU+Uk6OP58xEsDv9K0+oTTkP7QyO8DdKkE/WaQ3QDYJFL8y8F0/3QSzv//6Tj+o1Y2+++laQB5nvL1VKWo9Dn2Pv166vD++O3s/NLgVwPcckT/RUni/zg1xv9VnAkCX7wFAsM3lvnELIL8WYwnA5IksQHwMNT5AvNE/RAlKvyWcIkCbIz1AgpnUPD+OVT683irANfXlPfAzxb/G1RXAAYS7vyn0PL8gyiHA0lleQMl0sb8PsqM/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 629e2bdcad79ccc55cf4f4e2b36b4c8f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JK3Rww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9wVUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hh+cvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BoJAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dxWuv6MjubzVz2O/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "oJAMP9Fyib4Sm7i9AFA2v3wFJT9VHak9OdYgP38rnT8Ztn6+YjrbPuwdiL9wPqa/40OWP7cxar+IRoo/A7zNv8Fbhz6tNIy/mQctvywh8L5fbwXAUUPNP/lerL7xOwNA0E+hv20VcD/J564/W0gEwB82uD4Mr8k/z3LFv2tf9D87Urg/94eZPzXYAcDwiYI/jQGDvixUdT54iDPA08VRP8PQ0D8/VZ6/zySRP7sj3T8k8BE/RYkZwGX0zL78/Dm/BbKXv/8ln7/wXyrA5g8GwMa6kD9G7Ma/T50zPt27AMBF2oO/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a1282b16a989a0cdd2b10c1db05f6e88
username: gastegger
key_value_pairs: {}
data:
  {"energy": "siLmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9wB9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+rlhPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "u7eavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dnHLPm05lz1Oehe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "luSdPipsV70Lcym+Q2tjv1gkRD9IXyC/sv9bPrgKtz/eSxM+Pqvpv6hyTzyOcaY+OXgYvw1iUb+vaU4/x9GZv67DjD8rn/e//9kjwIDnGL+6W1C+gbgUwGYDGz8naYw/Xa5gP226AkC/Meu+fEHGv6DL/z9MFPm/WxyQPZX44T8qWpU/FEW7P4DOKr+f+WC/E1svv4K+778d8wI/SkekvgPIMr/M0wtAlOAbPzYYbL96yRNAUMqTP0SZzr8KnKy/qwvpP8muYLsC89a/BZweQOuCZ78ags49db9LQJ82tb+Vgp2+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 959eab213da7e254a6fcfc7b3a423c3b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "s5m2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "58VJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wASOPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JGSIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "U9CtPmAffT4L0sy9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "JN2iP44TbL3nPF++P+7hPmuUlb+VDpA+WZSwPoWdlj8+Isy+5f3bP8K3p77lNJe/pIVkv7R8ZL8kC2S+nHmAv8WjDT/xYS2/J+2Ev3NRFL+HXde/viBNvpLWO79FnBbAoJPkPikBo7/9Bd8/hwvZv6UptL/Y8pQ+PMvwv9holT/yCQS/QnvGPZZTub5hGxBAKQ4AwL5zS7+uewjAyiO7P2pgv7+vRwVAUXVDviEDB8AK4AJAPE8zP+8G6T/pp5u/gQEGQGD6GT5eofE+cYlIPsoC+D9rDk0/qcqEP5s/F0CoPX4/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bc807b2c4c826cb9a060c83036b9206b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UGuuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0H1Jvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "h4bFvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/8wwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kpbaPnf46z32I8W9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "vKGjP7ThzL3lb4U8tVWLPj8wr79mCsM+N6giP5WTzL2wiK6/RfBev/VpFjsNuom/Avs7vs/Xqr+uXIy/1jJIv1y4J7+m+ZQ/P5mSv0oJwj4YALg+CTECv5LU1j9Tc0g/l9iHP0vNjz4sMxLA93s/P8/zEMDCR0c/Zz/gvpAMC8AIot2/9/iFP8khoD/xlj4/Pxkuv7BjB79vXA9ASK8UQO+R1L7XVxw9/E42v1fuIEDFod09z6BEvw5v/j9vM+Y/KdfBv0PJpT4LdfG/hHO2PwnFmj/iueI/HijQPwgoAUBOMF8+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 17e4ffa8f1797f5e4a561ad7c8b44f7f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZgjBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FeJxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MKECvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Arhpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MqzivGvxnb+BIYs+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "4T1wPz/QJT13u5O9kIuAvu63cT/g/ZC+aPu/vwmD/D3wzBK+D42Mv5x4p796CCw+6GjPPnjDrr+h5yg+v1fcvwGY9L5l5J4/JrZHvhZlCEB6gwO/Cc6HP2Ffhb/GDpK/kdTkPtjrer/MIwLA2U0EQD4wtL9AL6i/wz3Uv1WMCMD8yIS+8kBpPzRuAcC8fl0/Bj+Nv4PGB74cEARALRQLQD2iIT9xXw8/aKYXwHp2xz5zBTu/PEQwwJDUK7+N9MA//ov8Pwy6eD8mWso/eIUgQIK9vz9dUom8aUE/QKbExL2W+Bg/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d55badddc8a02503435c473ce695493e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rZ7uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Io1qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wAXZvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "amxPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7BdEv5jAoT/BkB0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "0G5CPkRMvz60tsM9wYdXv2zlZD97uIk/tcpxPrS8hb/x9yw/x4yNvV7KHb7cTqa/f5+TP5UEKz9/YGm/RAPevNzJyL+w/EC/yrg2v1+LeT5HxQTAvqaHv3c1Hr+8ALw/B02kvgGwKMApuJu/6rrav8lptT9OSSc/So+IP4SRt7/glaE/fTeNP11LAUDGAb2/jUz+vwBFh78MNIw/4La5PSaBHECSRcW/3vjaP4DqKkDBw1e/b3dhvkO51D/WkgVAzwd8v9aRSL982SJA0i9ev5ud6j/t3DFATBTFP3UVAEDEkh7A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c5c79baecfea02d1a1a4500367b8a161
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5RYPxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lpaBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "awy6vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "n+trvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "n1nSvQrX4z5JY/Q9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "h3JIP8ZUsj1yU+w+TtW0vcEGID59gkO/Qe8rv5Njuj/PDCC+tTRxv2fOb7+CFoS/E97yPvQ31z4RpdW/j4kOv9TdCcA6jPi+P/p8vz2lHsAXVlI/M1QjP45lyT+LKTk/k23Hv0K9nj/FPOQ+bVRdv7YJIEAlyoq/unTgPkRWEcBCwBY/RtcDP1Kk7j8j3OI/PPvLP2XYGEBUtqw908WNP7n1OUDhUBO/ryd8P339gb/um5U//kiEP7V0S8Do6yo/1hwyv1TOPMCPaZu/cZe2P/Tygr+rRApAsBa4vzu/SkBukzG/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6b861c3bd6b646253770ad31ed2cc10a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6djqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UFJQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iX2CvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nwJAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BMouv/ilXr4dj5G/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "9dC4Ph+k2L2CUSM+YRxTv2hmpL6qHQ+/1M0BuV6odz6A274/o0vvv0TWL76zzDw+txBnv7wJJb+M/QDA/03SP9XUiL4tm7y+rwF2vpEDvr9bShDAmmzMPxB7HL/RxbO/SkktQKnqQL3rL5A+ZqQZv6hVDT8E0TvA1rqwv5Fh5D0pmLg/srQAwCfv9T4xbwhAH8BgQD5wer4XNKC+uSr2v1NDfr/LHQzAPR7UPs0cbz9QtDLALu+lv8Nrrz/oHS/A7q9LP22MDj/SnhtA5zo0vyNChT6c5n7AVlmNPtRhPj81clJA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ad858584f8f24846727622ccbe18129e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4Lb4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "k4yEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/wQXvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5ldjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "O8ewPoC3ED+ppD4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "PDwFP5Ylsb6cfRM9JvM6v8NEnb9u86I+oimgv4H1U7/iXJo/aovav9y1lr+Tkli/8hFaP3q0AL+n6H6/PT9iPkpGkD9EW30+wP0rv7Knsz96Caq+hCTMP51uUL9W0lg/Uuu/vLBZpj8WMqg/nE2sP5/P8D82Ogi+djjlv3QfCcC69bG/AgnLP9bfqb5oP9c/Nge1vm5nJMBJ1AE/87oLP9SSIsB6pl0/CnuRP35cUUDM1bO80eEUwA8HR74NwpW/LoibPvX6ZkBLCCi/9qJrP9JzZEBx/oE/J28DQJD/cECdjbG+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5e48f6898abb4c1782ddcf27926b2fa9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FyPmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bRxxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CvNePQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mGyUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "acYqv7cLLT/ZPZk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Md5gP8xHNr7Aq9Q9PBG5vo25aL8mpDY/R3HevEKhgT+Qaqa+bISdv/UUpz6VJ9I+v545vli78L8LhOu+VES3v0QyYz/wzqo/kVvQvnLVqb+h6ds/BP8VvkaGhD9WNrW/NBTKPuYaEEA2R1E+xBl1P4Yvkr/jOnm/FlcMQE+/wz2LoEY/TpwWvr8EPUDosi2++ksEQDwUUD8Gk8s/y0EawNzAFD0oMJu+pqMnQDCgVL/txpU/OLE5wH8SWj/RQ+O+h3M5QDQMBj/EAGc9e+KAv3Us97+zipa/PWXhPVNGOcB0USm+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7c033da476c162e6c63df944cddd6ba3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "F5rTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VB2Cvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "u2LGvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UW5rvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0H60PifCFr/ufIe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "9EGkP8GCQb1jjZW++V+sPqOLhL6aqWs/3lHZPlsB7L4Ag7+/cUqHv1/+yLs21qM+vIaHv7xV1r6htIy/VmDGPvP6p7+Cm54/2hoQPz9MEz9pagFAnB+Zvl27eT/nSg5AX6n1v7PoFj/h6G0/+mizvudm3b+Xnba/Kkrsv3SobL3iv9+/hLY3P/1/v71FUh7AGI8KQJ9CMb9PIFm+qawqvrw8HMB4LiG/2KMlv/HtC8ApSBfAYEjeP+pjtD+mj9O+KlVhP+Z3BUBPRwG/FkgTQLgk2z+KgPA+oo4XQHpAxT9OAqa/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d27719e4fa9b4f72ed712fa17a7dc196
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sxPcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "C9Jsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0qjAvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8bxUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SfQ6v+wSRb+TNcq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "05VDP0Bg7z2Dmjm+HtyGvof1U79VZTm/+8sfPU0epD+DBeQ+5BTUPnm+kb+QpRE/bZLLv5Hj+L4HKsg7a6Sbv3LmJj+tcXQ/f6fQPgFkG0A3GwE/2AYgvmPg179atfi/QagHvw0NlL9H1DTAyShjv0vISL9vSKQ/3UX8v5ABmj98fr8/hlBhP98K/b9IJgjAS30mwLCLL7/O2KO+cY0KQM3Xkz6Sri+/hRU/v6BwJsB++ui/egSXv2M2p7+3xwtA374MQGTAiz8fvba/wdwiQPD3IL8YspG/KhM1QIqwED+G8Qs+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 30390fc7c5fffe32a1bbac806b876e84
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yJPTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "R8d1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6x7ZvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aqNavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9u6Xv8uENz9DVre8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "/t6hP27xy7x2d0Q+Dlt2PmVhXr5/o60/Xm8Evw2uiD+H9Wo/VwKfPiEqhj8DntS+eoDnv0GsUT+X4Ps9eEh2v1wQCD8OEJS/83u9vtA8j79fzqI/+6ZHPyFG9z9Erli/Up8nwCzgVL66uCU/aErSP5xmnL/86yG/O15yv1nuBr8ZIba/2zUYwFRB4D831DU8W39ZwHrEm75y17k9HhEuP/JpRL5UqBZAd0FLP0Bh8b/1h2q/mv+ev8ZWjT9avQLAQpgAvzK18j8fK9A/OCgxQC7gvr9QXHq/xOMLQOJx5j5jsQk/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cc06c3cabe4b77a61aa9b8939aeb6e81
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yHGuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9nxtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ox4iPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4J53vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "48IBPIKoezp8fhg9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "UV4hP3/gb70cxx0+Ee8Xvxs0Ob3G2I8/uT7jv4KwlT4CRYM+cIcAv2cPGT8ATwBADNC5v2Sawz4L3IS/TKWcvjfNxr9ySrg/tJ5zPMEOED6SYqS/FrEJwM7JHD/71eq/jv2HP3g0t7+8TDQ/WEpwPw7LrT/Fe66/o4IxwEgE5T7ppyc/gvfyP8fEq78HzLM/gfKAv1M5DsBi5W8/Jv6FvvWu6b8+xh9Ayo5jPpbmJb8tEgHAlhyoP04dDcAQsNi80jK9P+8Okz+u3x6+pSiIP0sLCEBPlwfAkkoOQIGi1j8ot9w+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5bd5c3ee14637a17790ba4da396198d8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mJW2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "98hWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "079kPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dvyHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OUVfv+o+sD6Aggs+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "UXNLP+SwVD4WkE0+ZTukvi0JZD82y4U/daUrPgfNkr/pV8I+cBhfv/D7B7+xpKY/zpqIPwEXOD8QX5q/xC+Av78pxD8orvI+T6kIPvNWXT9zTOK/EIjgP+ZmWD4ioDo/h+3VPzinSrwcXuC/gWwBwHxGgr99qMw+KbRvPLVQuD/6sPY/ZWZtv8YzwL+kjha/9eUswAuod74INRg9gMzpP3fA9T+JJ5e/HtGlP4yBJkCSl0G/UZNfv5QTXb8N/xVANoUnwIiC6b/LDlU/yKVkv0xRer+A9MW/nqhvv9rKJMDyuUu/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 529455e94196acd2709bf1ff578b8095
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ypPTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7kB9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QtKnvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pkZovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7Z6QPygKPL+g4Bo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "HYw4Pxrl1zXp952+a07GvkQuvT5mKDY/Ck6lv4OUOb8FaKI9AIA8viY1h78BrW2/oZuNP0iGub8F1mq+Ub+bP0FuEsCIRoM/LXW+P+STdD9dBXW/rp1gvyvG5D/qjwg/2qsWQAFYfz96rAm/Da2uvnX9o7/H9Py/dQHIvWPJgT4o8+E/d/HwPz2X1L/q13a/Qh/cPlL6A8Cs4t8/XW8LQHkNCMCX/cI/ldYKwD7Xir53wsO+3H2SPz2kVsD0aUk/fNP4v4mQBkBq14s9mtgcvsvRI0CdXF8/SgzOv2g8xL8eDj4/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2d5a4761d3dbde3b8d9f0066eba4a578
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dwmkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9L9Mvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2LyqPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jxdivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2XycPbxchL03pke+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "aqKIPyC9lb3UTTk9gPa5vP3kgb81Eng9INmVvwlfJr9hiUK/KyrOPujsGMDbPry9OPzNvxRtRD/bMv6+0aqVP8LTJ8AvGic/SzExPzCWsD85aXE95m1SPxVNJ8BHu4u/qf4/v4PW2D8XxJi9dcimP+qiPj+bE6Y/h8x7v+2oSL9lYOy/eAetPwl2A0CnfPa+mcsjP3LQBz/0IAhA+3n+vzRRq79TeAO/7XHjvoQHRMCkY5Y9OT/4PwM/t746BQy/IQeKv31nLUDjvwQ+OyoUQJz0gz9nHcg/4xAqwDlYgD+Igye/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 51e26ea17079deba6789fe6561b7e72e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RpS2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "avtXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BTWcPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9gqTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PiKmPtI1k7w6QLC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DponP4+eBT5s5Sm8TqYUv5qtSz/tcxO/sr/fPtHQPL9k4pk/Jd+zP1pfZz/3c0A+QH6dPyRa57/lHA4/jN+zvwWAkD3JuyW/boGlP3mphb84IkK/lIW8vnTalD+aSMy/rQJvvyUN7z+U9Is+ts4HwOrBIEDrQ+u9ddc+wNyJ6T8QS9e9CbYCwIR1PEC/+I+/Q7sTwBBSVEBgMBk/X6hpP6Ygsr5WiABAgL3tPrmYE8DQ4h+/Ye0ev+ysEcCychq/lsf9P3JYGMBcwIo/YncFQGh8dL+9y76/RnJjP9Z6SsCdiJG/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 805f9e4959e742eeef09a677fe76f94b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "N9vqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XFZBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "p+qevA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "B3ktvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TrmCvZsgGr8ycpa9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "XxgaP2JFP777ALY9v+IXvzaCAD88u649PkDMv4mR7r6PbQC+WQVcv0qt6z9isNM+7C2gvfmbLUBMBGY/Bs1YP8owFED0qYk/JWnaPgu/vL/vjKS9liPzv9dLBkCWJVM+0YBwvzmC1L+RZE2+HAXrP2Zv4D7jmI0+WCUgQLN6kL45ogc/e5UowBzKQr6PcEG+ZAa3v0D+O8BAReW+sQYWQFBLnT9MLFy/vPRJv9S7acAjcQa+Ii0XwI2DRsCrnMS9mDDXP13dBEBCBIa/Eo8bQBVkIz8e9+O/ZPJUQBPLzz/8aBi/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2b015621db7e7a049b58e61576ce2558
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JSbmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Tl9vvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oyB4PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "u7OWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LsW1PqVrpj3y0k0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "k/6LP+6Ejj4aKoq+qp6cvS1bmT9nlDy/IM2IPdLnX79mz8m+kLrqP9RCQD5Kz4m/5Ckdv5STLb1MUMC/28AFvo9xPr4eJB7AnzVZv3l/YL9rvFY/y/BxvxPvyD+ldaA+NQf8Ps/3CcDHl0a/uFuTv5e9ED9Mcag/RQ+4voWYtb9lA9Q/Io5jP32RJcB8sii8RSfaP+Gi4j6MiHw/GwYJQHtrpj9UdoE/1QQDvzLgTD9k9gpA9kfZv6jO9b1m9My/wHUdPunRBkBztqW/OnjhvzgQtr9DzxQ/p2kMwPP5KD9m29A/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f36893508860577a91e518fe72e03b7d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tZTTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "P+V4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eLXcvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kE5dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fQXBv9XPe76At0A9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "t+v3Ppnlor4RmIG+35Fkv82lKL8JoK4+cVXoPSxImT+lgne+gOGiv/qiXT+eqJo+7nW8PnPN/T6f3cK/BH7jP338Xb/Vlzg+yerkvkEXlT7qgA3AwTQGwBCTjj+tq8S+GHM8P2sMAEDRYAY+YbapP49BMz+1aP6/ugS7v2Ocuz9dIMg/yGNFv8COa79g7rI/x3XaP5zDzb+kPYE/A502QFRoDL9NAo6+FMDiv2X/1r9Owby+TrIUwH4Cmj9AdfM/wPjzvxuCt782i7a/X2+qvyqOK8Ce3KG+bP0wwGx33b8NerU9", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 998424704f0676db2b39abc41b887544
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uJsAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "G/R1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LZh4PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "z76Cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KpFEvdaL4T5i1ss+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "vpkhPnBXhT7zJwU+A3ecv3GOUT/73dU+4+4RPE5z2j+/zv8+xwL4PYgpGkCd/ae+TEHPPrqlUz0NuKC/J/EIwEWZfD9qFB2/8IfbvyY3MT/H7La/Og8LP6rsBUD/Z90/wERUPzp3QL9ggYI/Zm0HP4T2F798pQNAVVMWPyBSoL9bp9G/OgP1P7fUGr/DuHg//T9jvS3LLkAjcQhAErHxPorrCcBwywQ/otgePyLJEsANqW2/k8PXv74uBj+pq60/jdg3P4/Opb+J4y3AcOIPv0EuGsDwbEg/3IKNP64zOsB/un4/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6851f77be074d55d995471099816bebd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vgekww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uRppvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "n8yfPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hICcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pu3/vhtkkjyFfNA9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "MnGJP43+Mz6aKqc+H7haPg07/r7+VCm/9MOUv9WkBz6csiO/tD+UvwOHmz/1MuE+lbWFPjXamT/8oYE/g2p7v3u2p78QO2W+Hc3Zv4Dpqj4+m8e/7BFCP9zIezy3OOA/v9tDPWrjPb/7OQRA9n5zPwlXWb+kzva/6NvOP/ln5T1LWhpA0NG6P67E/zzMSBXA3ST2v2+Jhz/Lr5o/kQ2uvygfDEDhD228a/GPv9x5y798HVA/5/7aP6R/zr/jQt6/2LuHPgICnr+BByzAEK+pv31hBMCTmWu/5gc+PxRwCkCIsZY/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 768c184960977f6862bebafafe752d51
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UOcJxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NXtgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "48XCuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BmVavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ke28vnQpTr6uKps/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "emFkP58rfD4bb9C9MmdQvvrMqL70W04/8RWEv3WndD9k74g/zS0qPhVesD+r31K/PNbTP3U1Mj8vPw4/abCGvyMnt79wgQU+kw5lv/Ly5D8Das+9cwjHPiuRT78aRgBAQH7xPoz/6T96avK/Hi29P0kzIb98sIO/gtKzv5Y6iL9h2Va/I+wivyhMvj9Ebfg/CNKavurkmL/+rSNA4ovLP7cf873mG+y/HkkGwMQdRD/YLZs/B/L5v3uayb9GLT8/5i3MvhzLLcBkSJO9tvnyPaS+PcBddEQ/ywSePqd1JsCac0q/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f44d16a2daba125dc1237598599c9441
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MazRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MX46vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Y7g6PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Sixpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "w/WoPSqMnb6t3fY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "l6hCP2um0r2veQs9Ic0Mv4L+RL+uXY8+tVMrP/5+rD+wO8k8MQcFvwJi4z9L3Ci/byziP6OSOL9Oq2q/5WLev16apT9z85K9HLEDQJ4kK7+DHw8/dJrBP5J317+p96u/2EjWvwQgFb0Zi4M+qkgNv255C8B0suE+TUsoP7RW2T+miHo/EWCYvWpBHsA916Q/TKDwvhE4tT8X89i/hpIZv55QN0BBkCW/kDITQMTsDL3SGMi/Ey2/vzppI8Cmze0+1GMCQMtnzL8kDY8/TWoyQOUiVz0Xq2g/bsApwFZD5r7w2/U+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 756cc3064829f39becaeded8d2788bad
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2FX/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aCBmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XOWJPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FF13vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "n1mCv2re8T50QX2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "JyCgPr1LFz3Kflo+U/40v1zjaT+FrNy+gwUZP3dplr8i7SK+e3XKP3+lyr8VOzc/meeJPzxG1T7cr6U/8F33P1nEIr88lNM/8P8vQFR0Lr8zASNA35aIP+l7pj/X7+I/qnG8v+3Plj98TJ4++ID9P+kbIMBsKyM/oX91vk2c7T+4rD2/2ratvxwghD5zONS/JWXsv0yNLr9iVK+/jsUVv8gHPDyb+hjAEvMQwNeckD/1JhPAADRjwN0klT+7Gty/gttiwJbpyD+XUjK//zyAwIsJKT4+Z9i/jU6FwIWU6D/E5RXA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 536dacee74ad69c62607f01f99ba0787
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wJq2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "z79tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3xrYvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "c7xSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ymxwvtKpqz7CaYW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "IfdrP+zNpT5oDNC+t4o7vviSK7+91Wm/ocYuv74OBz+OReK/wWgJPtWDuT+kKXG/iP2dP1nRzD5v7Ig/EduSv0viob9TV+o9BpUnP1LJCUCkIbq/xMlwPscLvr8u7MC/9bTgv1C/Pj9Lf+C/4YjvP1ZNAz6fvW2/Jkz3vyAYir6CnHk/DLUiwI3mzj57Zrw+cbkTv3oP+L+av0M/dK7tv8Yr878Rq9y+TXm3vnmG5j4qETTAJC+CP/Iqsj9y2cM/N0ijv50ftD5efcs/UuDWP9SFBb8a1do/DZYmwGoZTr/qj9M/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a20780e0be906e529a6b2bd56777f039
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ayfmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2nCAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kQk4vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UN9Svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bco1P9/4Sr8icd++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "OhEzP7HHJr4a6O26HYNLv3Z+Hr8UdEI+OLFNv8Ccz7/TXCI/6ygxP5tqlz9wwu2+OEW+v46KML8pz5S/qsu8v4FzdD4Cm4c/8jjPvyssiD/mvxM/23OwP5DAQb7z/Ks/x2qqPyhPk7/11Ow/UOPrPlJzmT9nErO//gaqvxeMzr/UEuG//bYAQJlTVT/GvfM/610JwNVaZj5uUcy/rtq6P1ZQib8Lb3u/Xf+DP4Pngr+6jf6/T9G2P3ycB8BUfym/V8YDQEJX5j+Ne7U/qrQfQBWaOz+2mzdAuz0gQOlUQr+efoS/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 68dc68c2e6e1fe0f3c9cbfe81d3b8eaf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "bZy2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DhBsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1lOLPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/NyYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aK7TvAFqqj1iSiQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "AuxDP2RXCT3bBA2+ZZ7Nvv36gD9Karu8SU1SPiOaq7/9Wda9/pcrP/uIQb9tobG/yf4GQKJ62D6oztQ+QewAQI0VQz8Zgbk/X4GmvzBfo7+VW009lTPSv/KtKT4vfsm+WofHv+pZt78ZLI0/JGnlv83cTT7Eqby/BgzMPy3lj7+uPc2/a1tEP215CsCvK6c+S1QjQMKOnj8L+Cq+5+rpv97rAcCP5wq/dNYiwCGfDj8JDK89CFUzQDgv2b4ov8Y+jviOviVi7z++pzG/45zZvo92tz9PhKs/yjySv48sBECB3Lg/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f4730d9b56d06c2121853918ebb5baa3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oa3Rww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rVFvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GZC9PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2IGDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aTo7v8uENz9sPm4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APgJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "iHmQPyyYqL5z3xe8P0qLPhWOBD8bAmk/Liu7PhXCTr9lBJ2/uI95v9FJNr4kIJE/y8bZv5czm74keN69ZDO5P/iGnL+zpwo/BxjGv2tOhj6mIuw/zXUBQIq/Rj4JRrK+ClemPgkAAkDZiVA/TkpkP0d3pj8+MQFA3GJ3vzqRir9x0Ya/1i2CP2puH0AGhvE9oqP1v1OzKz8WXRW/1M4Zv1ckJUAwAnQ/IuMowMU1Vr+ye3U91s5zP//lhL9huRTAYX+QPsk2sr8dpUDA9v/7P/nfoD9z4ghAIieyPmdIrz96KD1A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 39557e69017c912597453b2b5e0e524c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ASfmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YRZ6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9ux5PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "z0icvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "g1EJPvEuF71v8JU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APwJRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "m1tYP8NhMT6BXTA+Ri7xvm1Rsj7EYSa/Kumlv/j3UT7+Ays/EsUmPLnBoD1wp74/6BUUPgZIYr89HgBAes35vyXjKr8BfjA/tJEgPgQElj+MtRdAPYf7vkxtS78rJ8C/tguBP+oHjD/QHTRA3mHvv4sAjD/P028/qpcwv6XZyz9aPL2/dtu1P1vqg79Yf5a+1frBPvw2379uOm+/NvvLPygUeD+DURw+G88cvzQBH0Cf01m/px8fvpwlGMBwBVG+QoNhPUWc0z+lrxHAp57Xv/Mgyj8Hi/e/O1lNPzx5F8DR9Ny/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 984732472fef62fbdacd73f54d65d837
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iozTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lGtqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bD5uPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mP2Svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CHe3vgdfWD6SdE0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "c8FuP7H4or1WXCg+LFwFv4s25r6YfDW9mpR1vxiAaj/KTQs/WhcQP4Tdqj+adiw/kCC4v7EdTD8pacM/nlPiv1xc1T++H6m+Z9gLvqEKB7+Q6cO/Mkuwvrrv2L+ynV4/hxtZP93xBkAR9i+9bzqWPzjUp78GcYk/OM7tv67BI0BNqrI84i2iPzTHUL6fnp2/I5xxv3jn1L/7LOQ/D+cEv3n/KcBpFcM+aIS7P89mi7/4nQZAO5RmP9XSzj8qSdY/N7bxP+wvAcCfcyY/x5oYv/zUaj5tDgvAe4tqvlnawb/5sP+/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ebf832165a002e11628ab51919e7770a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Vqfuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xvpmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bmqgvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eO1Svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xeajvtBEsL+H3Cy+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "LZWiP4Gpjz4+COc9aLD4vHtEEL/izcA94LZMP+Sk3D+mpqo+s8+Ov1lfjT6hmTY/7r7nvphhb7+0xKW/glsZv9+m0z90XVs/ine1P1iWLkBb7509RMeMPTMwvL9dojE/CSBHv9M3QT+kogJAJy6ivw1XH0DzGS8/Mu87v4CTBL4nl/u/ZjoCv+trC8BMEuK/e0v6P1+QTrvJAGs/TyjiPVzevT4qbSJAGazPv0x3bz/GuCxAQJwovkgVUcAoroG/dQdTv1q0GMBLQDLAOmyvvt8zgsBqSMG/DFnqP7MtXD6I91G/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eb4fd6d49b232a169f75457a9decb86e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IJsAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eXRzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gh1/PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KbOBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dY45v9zXcb9Vwbg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "v0ZmP4Q+nr2M8NQ+VCEOvp/Tm7/rpOQ+L/IyPmD87z6Y40K/4sSNP8PEVD+wu84/2t/tP8qw9777/5c9xJg4vwZ9LL/F6mC/RI/IvwjBOb+dsrg+SElPPqUDIcBU3kE/s3gFwGauzj69+Xw/jq4RwOt7xr8Ffro+sEEfvmDdLsB2CdA/voQaP5larz8sAde/8NjJP4BUBUAXAsW/jQpVvZ6nsj91tSTAb9IkPo42mz99HQBAZYpxvzSokb+hcuq/BjHav6WYlj9CVw0/tRLgP8jH1T+VkKs/G+/MP6mviT4agRpA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5e9e0a6c64b1add0510f01367b7e16d0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XBi/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wLF3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iGYevA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WMttvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MubuPrFtcb5WSBG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "cwZ1P6jdRL7oDBq+9mptvh4ibb+A5Em/LXN+OfNIij9z9pG9pfxtv2NAsD44y4q/IVDKv0INGr8vSCi+slLKP4lGQr9Xa48/GBy6v9v1Mz9TNfu/kwtLvmEQ7r8AZ6u/5xICQD5ESD18jpu/UgNYP0OXb79TvfM/IUc0v8hLhT90wZs/5LS+v1AeOz0qfo4//RzOP+Bd8D7legjAKaUiQI1kYr/JMb2/AXwyQFeoPj+1tFa/+9LgPgYyA0C0cJi+WXgGwGh+q775cfY/W6cEQAoh27+bgmU/KrwVQDZmo70nyMI/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7c22b03527cffbab5087e421fe65ed93
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1KfRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VmFjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "g/jAOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Gmlpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0m9/vrKdDz4mGam+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "cDlUP65YXr0Ux+q8y3KmvkbwPr+nwC+/W5u5v4wYRb+Tb8s+BevDPuS04T5VF6s/1J6Jv+e/gT6tpbE/8/EdwIMekL7Kzii/8RZTvZEe2r+NkpC/T9HEv75WkD9ZyJU/AMqkv1yKuj2/msy/xbGFv87qkz+85My//U6uvw2Eeb6xkyjA+DH9P9/pMz15uhC/ClVJwO14BD/r57C+Y6s3QLNxOT8y5JU+5ahrQJRmPD9LsmS+0GbUv+wI3b/MpmI/S24qPxW4vT/fUsE/C4dEwHXejL8pcoe/40pjPxCnGL6LRQdA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eced73328ea2287265d6404df3eee86a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Vybmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+FR+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "S7B4PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hUCevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WTQdPdqP1L1VExQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "WFGSP0EnD77Sp+W8DgrvPf4Lrj0fVI6/5UWXv8CMEr+oKim/4q+Mv4Qzaz/wQUi/dSOnPsRS/r7sZZ0/rOeLvxMBxD87zPM9LHvfP5U0g7+tT5K+Zv3ZPpv9VT00ngnAzqP9P1BYfT8gzBs+UAlyv6cPmb/TBDU/xsblv4pEi79h9bE/hOM8v7gJEcDs5hk/pMfovwmvib8Ch7C/b0npv6Ohuj89+ey/EjSpvz3sDEDIBw3AudAnQMk+Qz+K8VU/+bOEPbyF5D6xZd0/Ne6SPyDco78PYgVAzDY1PzorsL+0zDtA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 53da177b3c6e45c0f02d4a30bcd1f537
username: gastegger
key_value_pairs: {}
data:
  {"energy": "N7f4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "W5Z/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2V0gPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6daTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3uWCPt21RD6zBxo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "yc1YPoYgmz00v4m+qdqXv+AoQz6XRnO/Ozbevg23Gj9kDIY/Uijqv+c5lz4OffA+0DQLwIWKL79jOU4/YZENP+B5pr9eTOi9SdeAvgNM1j+AiZg/eaTRvVOVDL7uXA1Akl7YPqQqwL+pBFQ/Pr4nwMCdgz9nHiE/Q11CP37GLz4L7yBAzezGv9LyXb/CYuS/l9+0P7GwTj8CWVO/LzOZP04x8D/9eWq/qtmKv3cj0r88mLi/OZfTPwsI2j4sJOq/q7Wlv8V9jz8nEMK/ciIhQB0vLz+wR3c9qGAsQPEqhr6V5wM+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f3606181d8610ada5355b69ddf5d4e83
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SZ8AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "thNlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JxQivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rI48vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "e6CBPwVuJb9Ol4k/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "GfdPPziG3r2EXAk9DUixvsqsLD+T4xS/it1zP3oYg7/GjRG/H+7Uv1dB6r1cCeG+kcDoPnsJ8b44MbM/cVDsv+JwTL+8WlA/uaoHQLakLT/o6UM9o5z8P6Ikzz8iohY/rHtLv1s+aL/5otY/HgVrvzrOrr8I1ClAZu/zvtyBzT98pk87k5icP7mgPL+Pif8/IxEdwH17lb1qMLC/6nkaQJD+aT8M6Xq/0sNIQKyp3byE7kA/7tFeQEgUOL8HBjg+iwDKvVh5dD8l6Pa/tRQ0wKQYm78/OIg//ytyvx52QT8emxfA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6c34455a452da768bb70cdfedeb24c08
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HKruww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fChhvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gXlIvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5KBUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "R8kTv+qyqD4qVxg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "v0oxP0XtBb8IQUA+6aP9vpX5Gr4yJVY/PPwAP5ANF7+2mpe/UqOGv2yvCL83n6y/01jHv4Ko+r1hMes8VdTIP3Pobz2JK50/9om6v3mDwj4tlCDA5/SDPg8Ugj4oYAZA36gkwFUMJD7VwoU+C1OrP0eqKr9pbgPASk2Zv9ratT+l+hLA5d6uv4jHx7/4wMq/XiZvv6Wpnz3P2FrAC2tIPmAu976J0zlAeDiKu8rYvz9FDitAFjQiwN2lpz6tFizA0mQhvlWKCEAoS/s/jScVQDOjHr/gwM4/jZUBQGsCgT8tJm4/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 423a3fafee5c97a8bcd50fd27373a3f5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hyXmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "omFxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uwx/PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aJKYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fNUaPxEenb6UwTE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "wopTPzYfIj5qZye+oL6tvmPXC7775I+/JLDSPf4oJT48MJ8/nUieP2PIp79pBkI+MBGJvw1hjL8g+5y+8QExvuKlpb/Uwk8/i/ETPTm/KL9X2QDA+yK1P2DB/79aPyO/rFiYvziShD/rN8q/QMLAv7hl1j/LQkG/dtvXPwTXkT8UGiK/TIsav38D0z+SShHAyHcWQNF/qT/02Bo9g9oPvykEBMDKxrw/HO0BQK+ksL+JwG8/O60EwBvUKz/mMAfANJ15v4f3fT9HAsY/5UnevwZhIz9074g/8FNVP9iYcj7ccwNA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e40224557a0130d6a26390447071e4f1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tZbTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iJx+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KhwBvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "flVevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Iequvs3MVD98uNS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "lvECP/8BmD1DToa+c5N9v2Z2mj7EZi+/O6gPvjikQL6gOpA/gvGqvzmZTr+x67A+RFumvzRGfD79fN2/B8WYPzu/jb9otm6/Xnowv5Vmmj+6xr0/6eGzPyidlT/0f52+/eqDP//YEcCIGzO/Z8eSv9K+6L+OGIm7PmPNPpz6Pr/P4vE/F6qpv6XFyj/tptE9Blb3P6ayRr9Wstm/d04UwHPyPL+o91E/VfJev1aSHkAvJam++Vm6P3tuwD9c3Jq/0rvCPfGG8z9+5+M/87q2v/n7kj+cVhJASfUZwM8W3z/SKyA+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dbf4227734b2bc3f4788acf37a2eabc7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "B90ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mrGAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "24qdvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xp0yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HTivvx1aZD/mBay/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "86q4Pu/iYjsxHqi9A2B7v40JGb+ihbU+m2kBwHwtuD7xq7y9utK6v6D9uD/zeSi/mhxFwECkLz5BWhY9k7qOvxzP0b+tKnQ/Cv0jPSlepT8IuDe/8uQIwOatKUCuspq/xyoOPzEOHj7RUMO/fDO8P4MrQL7cWzY/zIb/P+Nrub8WYTc/NjHwv0HwMkB/1hDAkoS9P7vyCMDA3jc91PZLvr6/kb5NRgPAH83mv9tLY0AvPC6/QF9OwDJYJUBmmY+/5C8yP/rNCUB+Iiq/ch0/QIMv2L/aQro/ChxRQBFWKsAOjqw/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7320f8eefbf66edae22461b02c7f11e0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HL3sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QfV/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rd/MvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "S1lmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TkWqPSl5Lb/mdHk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "gFd+P2Cokr4du0m+Mz/APOaN1r2cZ6S/MwsvP4Ymoj6QG4g/KOHLPFAODr81EfA/ybmoP8zHHj8yGKW/qsd8P3c8uj90vK4/6MylP1NJ1z+3yoe/Lyi2v8oh2z5Nf56/wyW+vKuLwb96ecg/cDQVv6Xskr+dzgnAL0f2v9J4sz6XaYq+vwMIQMPFkz5kxve/eFTlv4uWM7+qdwrA8enMvxFFtT8QpdW/ijZNvhecAcBs/irA4PWcvry8br5B+U9AndaAvmxqWT8iPVdA1taov/QLEr/uKV9Aj6nIPnxtMb+MUn1A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fa655657416c87865a3b2bfb20c1dcc8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8he/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XWtPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wLO9vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5bQ3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "veOUPdlC4L5eooq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "0L1wP32t/75MF2I+fjohvi321b1bQZc/t2e7v/HFlb2wxbY+25StPkI7Ab9XzY+/god8v5MSjr5ZjIa/c2CXvtOlsD9UHK8/ZXzTvyiCd77qJfS/tlfWvwEzrD86rk4/1XGRP2q4Pr88aRfAvzINQIEaSL/60Ak/cOH1P5IUPTwniR7AcZ3Wv22x/D+j+pU7qPjNviVCzD+q1RZAmFUbvtEWLb9dMwdAZos8QHB1g7/U7Vy+TjIjQMM9RL8qjcg/ubnRP+Hq278A4RTALCUTwFbpOL8OESM/48cBPwG3OL/QgFDA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f092fff58b96b9317e6d583e183764a5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "aj/kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NE2Ivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DAMWuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LiGHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CcQLP2q8NL/yXok/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "2tMsP23YPL29PSc+e6bSvptnkL/8u4C9OICPv0F1jb8RUkU/rzqVvxSdZL9qUKe/PZQSPpnRG8BdkDi9TSEmP+4kJMAjMVu/ZCDcv4IlNr8nkxPASuMhPsxutD/t3Q4+gG5+vo9Ezj8+YVu//71tv8KR2j+y0ZY/hzmiP4SCEUCqBZo+cNTpP61Z7T8kt3g/jCzsv6u8kT+8VX0/eRIWv3t2vz87lQxA9s+Wv7xAMUB8CJE/hDCyP1O7BL6Ksim/A5e2P4jwhr7p6bI/XC5NP5icqb40jwxA3uj2P39ckr/APK0/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d8064840a6156a92f85d86ee902d6eaf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "C8vPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hjg2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6GgVPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wJJbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uCN8P4V80D3lCjc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "o9ZrP/sABj67nKo9Go2gvRenIj95VTC/p7HEPqxnXL8qVGY/QTxzv8M3YL8FxxA/CA2dv3/WRD0e4NO+VrHwP6ZF3j7AHJU9DXIFPk/T2T8mtt2/VlP6v8aE3L/Wnoc/DVF9PWsSoD/xpy7A436XP8df1L/fRe8/4c4GQCPxAsDYyrU/43I2wBirub+WCyw/Hi28P93/i7/cCTFA9kUBwFsE3L/pdwRAx3Q1v7izGUDhatW/6ykZP49pIcDLmgxAUNewP8UEHUBAldW/YZ7DP2amNkAQdj+/3qgLQLxE7z8ZLvG/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b2f8f593105bb336f69d55fbd35e4a5d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4Zq2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iX1ivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7RB/PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4iCRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Vp+7vrvtCr9uUUa+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DOhvP39jIb5UyBs90jpivhHBib5pTYU/gba+v7MDj74d2iU+qFR3v5iOJz4l75y/kzTTPnVUpr4oTKi/RCYVQO2PIL9XbKI+O2QCQNraWj8fkGk+yQeJvuzOFj/Vx9s/HZcZvr/xlb8r1dM/2C/xv6X6pr/2Y7Y9tVB4v85NoT8446C/TvkdwIzLFD/mmjk/HBYDQNi5tz+lfJI/fsTLPkeSqL8+RMW/8opRwK1GAj/5W1A+h3siQN1Gh7+pSKU/p1A4QMIyir9mXQC/1ZXIvzpYUb7g+APAuEwYQE9zsD8PHCi/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2e32784946644cf402d0d6e4aa7c376b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+BO/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rYlVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "IuCQPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3/yOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZHUDPz81Fj9WvOE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "ST7OP0rdFj4NmaM+obE2P5KpYL/Iv0s/bU55P3Jzsz/TgQG91O29vshHrD8rKTu/S+KFvsmv9D9/yyw/kdXmvp4Eh7/f6LG98GPYP2GcCECWw8a+FNdtvxuo6LyG/H+/7CgCP8/NCsAfgRS9pvwkv8HjqD/68b8/QqsYQEPnmT6t5HM/RjDuv5z2Pr/Tzpe9NR4YPwbTfr9R3u8/IoWUP39bFcCAPGO/gbiNv+sZhr5o6QLA5+Z5Pue4Q8ArVAc/FAoGwBFkHL5aijg/9vcKv0OiBEBUUcK/627PvgKtPkBOMEw/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 90dab5c8c8d2ead33eb6f03618cd420a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xqfuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bEFfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WyTtOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "j6pmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6iHGvwOypz6cM0K+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "eQ2MP3VO2b1pn/g9nrFDvdGiHb9HizS/pNe0vwm3ir5Wkbu+XRJUP2oDKT+ZdZo/UunTv2cxAj//XU4/17H4vle6cD9YK9A/uI30v5z9uz2RpZW/d6UPQH93uL4D1Qq+m9qjvyha/j9smmY/7FZOvzCFG0BSDgE9i80Kv4QXYj9GPS1ANLP0v6DmKUAb5bw/6xKPPiZmTL+FLAvAVKgiwHJwVj4tUK4/P1lMPntFAMD2iKW/7f2gPxWf8L5EHiDA5tUIv6fAHL8IlTfAZ/aPP5IBIMDMjIO/kBkvv0QrKMCV4K2/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9d9a6f43b78288e548a1bb22faf766b2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0y/Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "p5Rnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gjy7Ow==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "i25tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sW3RPhWpcL5q2Xo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Rn1qP2zC775+FCM/xyOQvjtKWj47kg+9jV2avyW+tL5H6dA9XNjivl4DnD9nqL0+h+MGvLAPoT6js7m/XEGLP/+Ctb89P+o95SoqP7IHS78wcAJAOqWjvjzL6r9jNBNAYNfnPiF/RD2XKCRATQ+sv8qvz7/S/fk/cVULQLHuxj7yWgc/FFd5v1LYXD/vvQzAFoauO+DjMMDhIek/dAC8vuQzAcAjG1hA3+EBwMAaoz87Oea/VBsDQCxcqj8Tf4k/b4AZQBF2IT8eWQO/3NdBQKgBDr6Xh3Y/29gkv/CNYD9L+k/A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c938acb940f3825d3d89f272297cfdd8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kCjJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "F9Ncvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jNmSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7h+Tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BASjPn/ZDT9KDKI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "P/pnPn7AOz5Pqwq/qgVkv0VFUj+AyHM+aqV/viBIVL9OWbq/PVlbv4z2ub9PrG2/dxLKP+X2Mj03fPQ9vOwJPxwJs7/ZPeC/2BCvP+/miD+4Onq/bVHNvznvpD/vveu+Wuj+vpiIzj//QmU/QtHZPxe5yz7LM5I/KGOtP+zqB0B1bji/1MwRQIarkL/BCj++x/PEv/vsOL7x3n8/s0PnP8EXWD/w2vi/D08swHJRkT6XWNQ/05pMQKW+Zr8BKri+ZT1cwEIeKz/mJ3M/4UodwOHxij9wFhhAEshHwOM7D7+hAQ1A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9fb9018442edb7d0fe3630a775ae943c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ld8LxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eeh7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "m1VfPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8N6Zvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZHUDv9Ho3r4FxW8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "D7AKP5fp5j1p98M+cXkEv2k6Vr/tf3A/N6mMv82IlD73d+Y/qPHEvaQopD+iYpo/+FPzv+dBqL4SZy0/+z62vy+CgD67SDVAH/gHwMg4gD6Rvlm+y5l2vmoNCcDNWqg/C0gXv31kFECO3sg+ngmPv/cOOkCjdHE/EOkrwDYQgL+YNYE/pVMzv3hZL8Blwjc/8j8dPwYLqT4Ji4C/hNalPxWsLL/Obte/B1wbP3Ev1T9fYvo/tdrDPxMbGL4pkEk/npA5P9shz7/Ik9i/D2MSQKwfWr9Hrp2/zeW6P37Mhb4fuD3A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f0e61717b6fad9c7ce96ed4b2d0b69b8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kxW/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gJ1bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "f7yXPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4L2Tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Xp1Dvpj6yb6bAwS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "GvuOP45RyL06Rl0+UMUNvl3XMD816DA/v0YWP2vmrL+Nieu+xhiKvw/HvD6QIOO+UfKVORupuz+E/Ra/JsZGvzmOgb+EcHC/fsP8vqjthz+nIgZAKVoVv0dp/L8tn0A+EhEuv1/pOsAVTSy+jV+Uv5Qksb/hGvG/04gGwEv6OD+kW72+FHusPw28cz+KfFa/29/5PxIlZr7kfmg/86uJvtVfH0AUnlO/bsA/vxLkKz52GStAwcahP/e9+78i0YW/vVe9P338Dj9GpeK/cQWsPgP5yD8aUSZADeCtv4a53T/ueQdA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eac9aa74e29ef9941dcd7802a6c6fb8b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zCfmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ect1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MILGvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "M/tcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/5XVvZ5eMb95dc6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "NyUkPyw/a747nHG8KMkDv4d8jr9lpRi/PjR+vkKLH717dJ0/PtK8v5wLIL+LBAg/z8MGwMszRD5/0Cc+IG5WP/5TjT/I6EO/AOkEwBQtrb9wMIo/VOnUvNXhvz5ddRVAPQf+P82hab9bUmI+mi6Nvtt1C8BhhvS+uxiMvpJQ/j8A3jG/nLhVv5dqT7/YGve/uxh+P4xUYz+SoOm/o6rtP3hO87+oyys/CvAhQJr5hL+0UTi/4lTfP0wpyz9WC8K+6Eh5vtMQHEB+uh4+3+fOvxWbp79N6QvA7nImQF0Cob46CWY/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 75945c393eceef886b60ce1924b1f5bd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UtT2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XHNnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VI7Juw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6SZhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5NoIP3+Hgr5rgkC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "De1qPl8QGb38/Mg9vggfv6JSMD9pxne/fz4yvzPTEr+3+Jk/gImyv4x9Vz4NDcE/uXevvyKY379lBD8/oeKyv1wTyj8vTyi/hPLfvlCIfj5vLw/AOzWWPjxN177JrxrA0aOtvcioX7+jcwNAh1IGwBDyvL8D3TM+4MRzP2l7kL9Q3vG+IHagPzMrdz9NhyU/V83CPrR+879tbLC+V05fv9WIQD88iD/ATAg1Pzy05z9VlYk/uHDqPyVNrT9sbVW+DroEQK6Zqz6q/tY/TzknQAgC1b5yJqE/h0svQClRgD9YhwNA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 742d52217e615c5465b1deeb09f7ae09
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5yTmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bXR+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7QuIPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Mj2hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "K97YPlLt474jFUY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "0EnEP9Sqpj2u3sm+okYrP0RtlL/+o9++JKBsP/Mbqz8cLvK+Y3oNPYP3zD90khU/WRCfv7OXhj8kyMg+00qyv2IOtr7PJPE+s0W/P4vGRL9F89C/QjIbQMd/Wj3JBW4+3SU3v3S0g7/9vxK/KY2Lv5/la7/C3e0/91p+P+cJAcBQeRs+evgnvb0AUb+R7AhA8TFuPyh5sb6eLR3A0b0cwCy3Ar/BznQ+wr2rv0EP/r/sLvA/DPgWQKpjrr93o/O/tbzZv5Idz76xgyZAOaPyPuP+oj8B9cQ/WQvqvUaoK0AmNBk/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bf6a09435d8bf77c90c1c2ce3c918b56
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8qPuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Qz19vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "K2yGPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZAWHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oWeTvvT4jb7ZQmC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "NlebPxzppT5ojxq+tCXjvAdtdj/Z/E6/l30LP5Szib+KSZW+qX0qv+nV577hLYG/r+sAwD/0NL8imbO+TYREvgqK1T9Vt+0+gXxxP6h7kT8tr4s/Qib1P8vqRb9/D1m/SkL8v+8f4r5WMDc/6ZQxwE/akL23yFC/dqkFQCTFL7+ngPW/hh2yP3eKoT9vqwxAHlUuQCQ9oL/QUZy+xFyAvzY7BkC7hmI/PRLvPl4l47876wg/vrsdwH2VAsCsEQi/T4g8v/xFOL8TcQTAV5UhPYazzz+Bfta/g9/wvwQ5KMBFFCa9", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7cbc64ad7acf29ea17030fb987d553ab
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JS/Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ke1svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Wmd8PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tAOWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+mGEuh4W6r11yJ2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "WkeEPz0GkT2/FgS8EvN9PRPNcj8pBFY/0HN6vwhjsz9inFi+gAM9v57HJz8ZBra/P170PVBF1L5u/ZK/gg4Rv7cBYj7zxAFAGZocP7xI6D+Cbps/CwfjP/EgPD9tae6+uq8Rv5AfyL8ixi+/8F8mP1S0I7+6TAXAljIAwKXlmz+2Sgc+oCdkv1OKHUAmK+++itCVv+r1IL9YNNk/IepUPjKWFr6kGi1ALenfPwkDcL+CwUE/DEOfv3gX5L8vNqu/oWqbv0uGZj+wwyVAR/+QP0fa3L//q24/1p0hQNVspr/DbFk+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 30c7a951df76e180a9419aebd72e29c8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sSnmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "y0x5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wFuAPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Vr2cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DJOpvP/PoT1X7J++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "z1+XPy2sZL1KVEU+gmknPi18MD+kg4g/2vVhPjPCVL/N4UW/51eUv3b2/76CCBu+0YBUv4NOsr5s354/pZDfPqKQ878EFSy/gWLLvwYOaz+tSA+/u6AUvwAI4z8GzoQ+f7ntPyEFGj/iRLm+pZPKPVY7FkDTUMC+KwWIPpJC275rOAjAK4INP+4+fj8ScwJAgTn/PzEjbb8fq3U/AkSMP6BsO7/JhCDAKkCLvzxGHkDxGm0/fOmyP7Datb/yqcQ/Y9r0v1F8o784pYm+GnPCv4BUij+yONG/WXknwDa4jD+O73W+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dfd7f2c359c7e2af5736ece3ecb7160a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FijJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Emp2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZtmTPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Yiugvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YkokvV9GMT60k8G+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "iQqxPu1Huj0sAdO+LGWAv0F9uz3xxpc+ZswAwH5FfjyOCjG/ZkrXPga7W79F3ne/LsffPrdipD/mnqC/9ydUwNOdlz1seSK+NXu7Py8wAz5E2Ro/NniOv0M5gj9mfGI/ai7LvrlVqz+geuq/0G5fwPT3gT/vYcQ++JhgwM7EQr/gCQg/IAeIv6HVQ78R93s/xXO/P2t9hD9r5po/XHuAwDplNTzneH6/ZW3cP7mIir+n2Kg/998tQAZlHL+XZtA+OTs2QK5lm792Pfu+ynCdPwpLmz/2NfG/A8JoQJ0xgL4CCV0/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5a611c36b63adb52b27372056dd31fb6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "j5u2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2UBqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aY3BvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LA9Svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TzsMP1cmXL8SiGc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "a6sBP/IXm77eUCO+r70bvznAkL/VVVa/Py2/vn/sxr44Y5I/RmPBv7KJUL/zoJc+e7IeP1ULjj9PiTC/3u90v/7aQr83Aue/Ms+/PUkjxD+EFNi/SL2jP5c04j9e5Ju9b/S+PNRKmb9ifeM/USX0P/oQaL9KwZC9ozGrvroyDMAfEG2/vyDvP1Kk8781bsA+7agivyUXVz/s9P8/Wi4DwG0hzL/O5yc/3joXQCkqf7/q84e/tWwkQCByk76MxAs/oU+Ev7CJ1D9PxrI/L82MPsDDlj+HaCBAkyKwv8U0Gz9bWDFA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5b679c3e9442a560893e4e35f956d390
username: gastegger
key_value_pairs: {}
data:
  {"energy": "K5kAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "m497vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jpHsvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "af1dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9blyP79gk7+1GgI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "4m4aP3JUvbyb8Q2+2IfRvsDlgj//Xe+++xq9PqvLkj85Lks/e+jZPUIqhL/JCWM/YW3rP7YTRr4i3Xe/dJzwv6CGST99Axe/YPgWwFX6CD6IjSI+BKrMPwfXUr8yUuu/82OVvfZX4D/Bipm/CSchwDgopD9Gyr6/84xevnmTPj6yFeY/6d8JQIGQSj9J0qu/9I5tvwRA8L8kudw+QNlyP4HWzb9N2aM/ycmDv834JsDHFIY/0vE1QNarSr8scSS+hvBkQAVThr8ioTm/mgqivwVCtj6qDANADfbCPqUUYz5GYi1A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7d37c8cf1b552f65e740cf72f1c94644
username: gastegger
key_value_pairs: {}
data:
  {"energy": "t50AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FF13vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "FxJwPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zbCZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "85OqPR4zML5/EyK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "NHoVP2tONb4F9R0+Ajf7vhxl9j1ZiZ8/+mdKv/CGsL9Pz6U/6QPBPs8D0D5TypG/KcCHPmQj1L9bPEw+5Cc1P2Yy3D9GQ56/TN+bvxCT8L/igA+9AW3LP4jgkT2H3/0+v5viv45ZoL+wzTq/KnKSP9UKGUAZWKe+PbnAvzY5O8CYPBe9naCPv3vzBcCDZhtAEUDyvof78r/YR0dA22iovyDyRj/4E3U/PhMMvW+6AT8TRApAmex7P49pHcB4Tro9dwjzPrCRCkA+ByDA4McIPvDaxT+in03A+zkxP8GuR0B48i3A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9808882b5a383b13f536d3514fc839cd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QCTmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TRB1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gZeZvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Xd1hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oMNkP+LMZz+sxSc7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "gQc0Pg7Itj6HyDE+VYftvqrWzD+vYYo+SRwCv83hKr9XATi/7v5MP+XG273jprs/SnTWP6fusj7i7KI+iUKsvhNjG0Aly1+/8Og7vxQyV74Edti/7SNDP3Pvlb/4TdY/WbkIQA5Oqj9z3ts+IxUUPuPewr+JQWa/YF/nv3Hkkb9IrtK9OikfwKGzpL4dfWQ+5a41P4p8Cz9b4BRAzdJav77cAEBZ3d+/EUo3P6rVJUBu3pG/qN0ZQI41E7+KGd2+de4GwGEUE8Bg7UE94qZEQCGmeL9XLgw+8HRLv8akWECwxx6/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e47adf32d1bc0a5ef254de5747f3eaa4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "W4/Tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pKhzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YFaIPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6umbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZTbYPtLGkT1ZNJ09", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "KsXSPg3lNL5hNk+9VG6Dv++rBr/hf6M+UTlePuflpD+QjcA+nyCgv9s3cz8CMEI/6rSbPyhfOL8Vcpm/cxPQPxmRgL8XP2Y+NvkPwNAmez9OsdK+Gy3Ov6oooD/T2N4/PQ1KP4F5wr/FyeW/e1C7P+3vAMD2ZBo/JuD6vxXMyL7H1EW/hc+qPlTFAkA3UNC+spIBwNmU1z/vkJy/Wj1TwCFZjD9Ro/e9Oj5YP424yD+cxJw/IrEtQNkPqb4xZEk/cAnpP4TaxbuD+d+/bEthQJuPJ7+Csb4+eCabv1zjtb/2oWs/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 57e813a2fbf9675fef8b988c0d89ed04
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wz7kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8P19vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4iJ3Ow==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Pu2Avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2c4HvzDwHL761dA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "VLXxPjYAGD4zziA+rKY1v4t3TL2LmVK/BHyEPxplhD8zQh6+OvyEPPpRxz6Qw80/5/wuv7menT+RKco/eUSyPz7gbL9PBj09p0JyP0r4379YNIo+vg42vw1MUb+DRw5Ai4egv2jCdb9Amgu/z9TUv+JDfj8moUK/k8Khv2Eo5j/rUI6/SnpXvqPodL52swzAtwojPlWZr779dVLAOuyZP0CPUj8gWRZA4CXRv323iL81SNg/tGGLvY892r/H6Q9A28T0P3Cbwz3AixNATpx6P+98dD8fJ1VAout8vx0XGL9KdVBA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: af8a5ca164dfa5caadec840d027bad94
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ogbBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SBU1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "L8EpvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NXkqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "A3gLvUNzHT0X2c68", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "/V94P5wDej7/nDo+G0nvPHoJVL9EqJ4+jz/mPgbtvj+1hta+6xWhv1rBLb/Nvde9fWVTvx9fyz93oU+/waXcv8Fz6j6DMya/6nwwwHR2BD9V3XW/xGaTPwz0E0D67QW/fJ4CwCHS9r8zcQM+Utr+P2Grjz7zVaU/RzYYQJ18ZL4is6q9HuQBwF+NDMD2YZg/dJGZv41vIEDiHqC/Ir4gQGpzpb+7lU2+F+9AQIz6xz4JMDa/iYfvP6WD6r7u3gRA+s4WQFiKnz/Kxc8/KDvMv/YaMcCnyNW+l85EwA/15r+JdEe+", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cabc851836668de9a00b9c5d2eee4152
username: gastegger
key_value_pairs: {}
data:
  {"energy": "55jTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LJt5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "IH/pvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SGtcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mfADP0G3H7/xKcA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "W4OGP+R0n7wLN+I+4RqLvReXKr/6GaU/Lg4RP3dVOT57eIC/2amovy3+Mr/m2sE+zs2SPyQttT+9xCE/9CZwvz/vm73j5ne/o450vnoHmTsOxAhAePeFP0LZq77O7uq/skTav9W+Qj6K+e2/oNNuP6iq1D9YPka/h5KmPmQ6A8DyGOg/7o0BQM1vAL9wkxY/SXcOPyAEL8AIGX0/woyaP+1E/7+yUR1A3noXPvqgGUCz03a/Dm/tP13L/D8hoaO/pLzRv0FH3b9fsDY+W5P5vvnUH8C4JRlAix8MwAJzO75in0k/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d0b1d58e4ba4aed2d09f317e0736c8ba
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PKjRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DyZ1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "h8H8vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3o1Vvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BReLPiVds70wnoW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "8+OaP+I6vL2dHFM+/74FPqvsMD6DY6Y/KsLSPW4Aaz62zVW/l9Y1vyl+Tz/6yYc+V+eFviYyQL9U9d4/MhnRPxI+jL9fwTs+N6P7vmsKeb/OPcK/hQy/PmIWeT9sgMy/iq7Yv4enDj8rmYo+JYdCv6o35b8Ialm/tjTSvRLpp7/0HDrAGSoBQFZMJD+rElo+hDgcP/bqKL9gClrAc7y5v0FES79T1CfAwVyGvehTFsBCek7Ae9+/v6EXQz5YPzjAyMYNP8zgjT+TNxpApSIrP4eECkDMlwRAaDFGPxrhRD9/2WJA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1fd6160f5b22bf9092daa183416b666d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yyvJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3Vx8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "z7wcPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CMaRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FTrvPlX75L7cKY0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "CzIVP4AAZz75Ey869OxGv1IxfT/XpRi+KslCvQ23aL/NFmG/h3S6v8OFtb5p9Au/g5NAPy4/7b3aiLU/MW5iPVQsR7/7kN8/PWNNPtXdPb+RK/e/pxRAv4O61j9lIYC/2j/xv3XAVr8vTK0+dmbsP5mNZT+3AAG/bmwNwOytsr7/CKu//wuev2331j9HgHo/WbYjv+kdtj/XoNk/L/HbP6QOnj+Jf8S/5ZaNPo4jEMA7fiC/K2ooPZhvHcAZNpE+tmkGQK7K4T9lF+g9nGwsQHfkTT58F/i+Jr7UPwCjCL+bcco/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bbf42f9449eb60a78309543ba4337e3c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "e6vRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/Kpsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cAuWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RKUhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hV+qPkRMmb74GQe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "nRhZP5tGbD1dfH2+ig2HvkyjA78HKx8/0/yxv9oVTL8oXtO+gmy8PVryu7/RNYY/hEEiv+hKcr92A+K/bkM1v99urT7O1dM/Q5UlP7qZSb7wOsa/iOHUvhfR/79ylv+/qSoAQEpJNT+c2FA+k028PdD3GT8ZfAhAlpwawAOdrT6+0/K+GSf4vzXRpD9GJD2/+POrPzNMlj22YBXAz2/0v1nY3L9LfyK+dBM6wOES9D6eofo+GFUEQBWSTj/cX7o/EMk8QMyBpT/BvdU/vGNLwEEq7j3CHZ2/rQKbvwFHEL9bVCfA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 483b2ac8a9471082ea05f0ea49a5e43a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "d/7Aww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gjZ5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "++iUPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gNWhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kdUtvuwS1b6vQgI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOgKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "/Vt+P3Xkiz58Zqs+UYgevqvimD9s8wg/OQfgPteSh7+HsRi+Vn6zvydfCj9y5w0794FIP4Ftrz+opw6/GTmBv3m+Vb/xYs++vAIGwBKxM7+Xehc/xCcRQJrOmT4wIZE/nyANQL/xwr66ev4/vXM2vh8ZqL9G+cO/OzYBwLK0kj8DAii/PDIeQOZvpz8HNcA/LV+1PMrRGr+F/xTA5snxvyaRgr9rHM4/bERHQCZCfLw3qwM/kPppvjSYFsBHueu/Kd1CP2o6+L+4z8w+T1tIwFlAU7/XU5U+xosjvhtRAECra6E/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8ff17dfaae6a6313142f9633063285da
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FiPmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WyV4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Z5xGPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OuaUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gzRTP/rQFT+ZnrC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOwKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "FV96P1Nv7TtzrHg92+OSvcIsUD9XZF0/nfanPMfWTz1iwZi/FrdsvyIXhD/HVNe+U60Av1Bwmb+wXMa/x+ONvwM5zzuK+bg/37wBwLfdoz5RR7o++c8cwKVuE79eF8u9ShiRv0qa/z/5DmG/2pWTvlhw5b/XRVC/60s1wKUpej/VRjY/VIaWP7zmpb/R8RI/YML7P51o1b8Mnyo+YyDyPlZ6AT/bLAXAi2WVPmOcyz++tsU/9vMRQJV5Qz93dwe+M+YFQL6I5D8EefO+Aao1QMVpUD90uU4/NvM5QP9njD40f2O/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 700a9b60febf999d1331dcdc8fd728dc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ESYOxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "knaDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TE8YvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Udlgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sfmsv/fpiD5oIvy+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APAKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "kUUkP7Subz0Jc168l5eovrVtC7+DXIS/67D5PSqlmT5AlKU/aapFP7HtsL+m6gO/RfIDPxGHCcCA/FE+EY3Pv6YsUr+luBO/mhKFvhZ2Hb5Y7ALAghEpwNHH7b3lqZG/YeNgv8vRhT7ngrY/YVHOP5UZhz/42gy/KSNwP1W8qz7C0RhAQHYJQESaij7smhVA2onhP3GC+T/Dya49ktgKQNS2aj/mos6/bYvNPxGeyr9hsZa/nxAWwPYi5D5AAwLApGRywLB+OL4DBR+/Q2y8Pt6N5z4OCVVA+GqOwP84uz5PaZW/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f347b343f183899ae01dd794f8be16ee
username: gastegger
key_value_pairs: {}
data:
  {"energy": "j5PTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "f4Nmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RIcAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rmFGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4q+JvYJzFr8g7y0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQKRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "rFM5P15h/r10PvM96qzWvgQAhj6ntV+/5L2qvriJ173Ww6A/+Gu+v4uCHj4/7FQ+oUfUvs3SKT9GVADAbVZxvygxvr+C38s/Lnb/v+fnpr+wb+s+yOiIvtnWFcBZnsA/y/Hyvy4I/b/DaMq+AMG8vRmaFj9E0ANAZFwOwOvndD938oU+hQdCwArAq7/dkEw/vMvZP9M9Xj8nuY8+dhizv2cVwr/FYiVAuvQpQNH0ZT/pEUW/9g4MQAc9jz/+Ld6/HAqXP1UZjr+tyJG9YyZMQPPQeL2GQFi/A7RXQP601z989wW/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fe0bc99331086619b71f67f407e8fd14
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oyfmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4lmCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "F9gjvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vr1bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VDWZv1ndAr9uwKe9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAALRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "c7OAP9/qKb683vO8aMAjvoylAL+ZJnc/5eMtvVDaOz70YI2/ESnCP7dJi79KaqO+5taPv+lpGL+1kpC+8Vj+PxMGQT9hR6k+L3exv1EzAcAEsUG/azCavY7otr8fHsU/HRl+vqJboT9H2oq/gd8Nv5iFHj85p+8/XrBuvn7d4z+VOds/nXYEwFI1c73MPCa+a6frvj3YJcBc6lm/XGrDP0hQwj98szQ/5wmbv0TXrT7hVS5A/GLuv1isAMDx5d6/rQaLPimYib6HdxnAxiWMvtSxSj6cc0LAOAgDwLDnIsCtFH29", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 43303c2e1e3573e29860dac9348040ac
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eQbBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ovFUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GJkAPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6Bd1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Rl9BPnEDHj6WQ6u+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "XlZRP3GjM71pbYG+gVAWv3hO077uZS0+pLmePh+Hvb/PKMS+y2qlPawb77/IVq+/Owo4P0nXXD+jMby/jrK6Pyr2jz45oYY/qBjLv1Bmkz7bPTi/MY0+v8YzLD8u+/u/ujYMP3ckxT3KGAFAmlYyv5Hbl74aIco/FUMiP7CtRj4MzUVAmj/4v5pClz+kSUe+XKkdwNvpn76B9nq/a8E3P1hADcB0SZ4+OS9iP3/18j/uppO/i3MeQIQQHD+ZUZo/SDy5P9xkJD/ScBDAEBZJv5jUCb6RKC3A0NGQvz1eyD/RyR3A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b14d3857ca21476f5433221655a89363
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZAzcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3KHBvQ==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HQFcvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uCGmvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dhqpPRefIr55I3M/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABgLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "Zr7lPtPJ8L5oC1M+VFlLvx/NXb6PBzK/2gCGPmvryT7H/rQ/BqqMv2dxgT/inZ4/diLev1/KAT/aRac9HbNfv0H6BD0Q7xZASlKnvzSnA0Abqbc/d5GMP6HTeD9kYuU/c1fPPzsPxr+bJ409gtWqv1K8cb9yqhBAvKW9Pyzayr5QIE+/8M+7P5m0IsCTB7C+RrwSQDR0wb9Sz2s/JAxSv/yH1j6osFdAiJCkv9K7jr+biIq/0GkCvmmMFz9+oPC/aMOePwbC2bwQOwDA3KqcvUS01D8odNK/OyAov8ov9T41BzXA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dcad639f05e10e91352946406c7dafda
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OJu2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BTZXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wTaCPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "syiMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "isigvgfO2b3+miy9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACALRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "8LhFPzauDT2vgQ86BxzAvousXb/efdk+ox59PpoDWD/XHpO/DRQJP0Hwwj9blTM+YG2Tvq5E7j8tVUs/wgK2PxFQCUA2VnE+B8LPv/t7gb4EMoC+FQ+Nv41f0D7oUbq/Li7ZvxStlj8YSN+/1okFwJQs3z5YYvE+Tb0KQMxgCL+x2po9QiQQQB6Mur+moAG/bqU8viI9779gW3Y8J9DuvuW2bb8jtes/LuUXwBSWgL+ZiQS/8aEbQNwrQ7/Mdo4/iyxeP4GTiT9ymwDAQRM6QPr9Mj75lp6+McOKv0NZ0L9a+wRA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 32901fd9d0226a41750015dc1e86f8a1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vpi2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dmx0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xNBqPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VJCXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9mLovgggbb9eugE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "YnWdP1YtFz4ypYM93oisPm+nWb/r+GM/4fUCv0VQkb8Z+b2+E6zvPpsBh74gtJ6/UjrTvyHm9r2StzC/a96rvrzoXb4BbQFAzmGlv/1XCr/SNAdAD58xv7m1LD9Ge9C/9BBoPzu03r+0VZc/ZUOOP/1fvT9CS/Y+efaKPzEXLb8tfQLAqpUSQPD2Ar6ZaR49IQcCwGNi4j7uPyk+KFnkPpOjuj9DqJg/tec7vxrFC8D0dxO/eC0gwIQdE7+ojJm/bIILPuI51L4RbzlAL+IIvyu53D9tOrC/FGV4v9CnGT/AsCvA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 64b6072c4afde3ccda2a4cc738868f38
username: gastegger
key_value_pairs: {}
data:
  {"energy": "W67Rww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wVNovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OPfXvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2lRNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MUK4PgwfgT+X4vo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACgLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "6GtLP4GQbj7hpaU9TkrwPXSVrz4IGa4/pLmLvzkM/b6Xvag/+SXzvVB6pz9QZ8Y/UG8ZO10hI7+ufl2/V73SP+yrsz92X6++NvqevzWSgL/U9wW+4/gNwLfpx7+nPRK/ygejP+L8i7//DGq+yaL+v+dnjj0q2Mo/N5+Ev2IIrL/ykgBA9OMOQGrIij87l5q/otNYP/exKkAQWS2/ACaNP1D23r8y6gk/JEkXQOjkzT89Vew+8GO/u0efFr8JXPm/OzAEPvWeHkACir2/1YuTPmDmQkAdpz0+HbrBP2MMXkB8bYC/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ef5666461c0f0a9b8ee93b3a2f7d00fb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "W7LRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8KVwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0/nwPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lWKHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kbi7P/2kMj/CTFu9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACwLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "oEabP7pHFz1R0Ra+mY6PPj+llb/APc6+4BrePkhapz8BIw+/OcGNv+GMC7/VRwu/X0UdPwyq0L+oYYQ/DC2WP11Pj76lkKY/X8xvv151Tz/cxBy/V7MKwOVzkb+b0xS/1IpqvoPU9L9439U/4VoNQPlJ1Dpp7Rm/x1b2PpKm7r8QwJu/hiNDP2v4zT/qU8i/77etP/b6G8BeAIY/8JTev+4PtT8o3zO/YDkEQH5OhL4It+M/xv4ZP+H+HkCI28o+PXC0PsJiC0Bn+7Q/J1zRP+PzNUAtQsI+wpoovauIVEDtztc9", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6b269152c05aabe0aff0a7a249ab8ccc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "w47Tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vjGEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "J7wEPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Q8mUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jL6CvF5LuL4oLKE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADALRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "xMvRPgZHwT2eAg8+56tNv9WtDj3a+oQ/LjheP+XPZL83S0w9QR2WP9qSQD9mChM/DQqlv19+fj93npc/wWXcv3FLlr9JJ4E/HpRnPdUoHz8dtaG/DoVYv8tiZ7+9Pw1ARUk5v/JRn7xfRti/lf21v2o2AMAkUMA+D8IywIDGg78au4s/fr6TPjAj2b/hEBtAyjIJv+XF9T9nvJq/PRmqv4wPDL+qbkdAKy1Pu4eMJMC2xyxAFvcrPuxoI0Cqg4O/qJycP1r0GT+jawnARv0MQL7AGz+UDzbAjeFDQGCTHD9uRl7A", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e87488cb25d0ec6c40345707515d0503
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yD/kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iGlvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XU4JPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kN6Ivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "a32Jv3UfAD5wtrU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "7M2MP4n8lT24TPe9XdcmvWBAeT8XdMw+6wqFv2MrhT8+9ha/8BUEv4QvLT4nsNE/kQZzvnfUm7+uxaE//+0LPyrjqL+oJBY+G7ZQv+JT/b8O6Mk/w6RVP1ttEsA1TyG/ugT7vwTbBUA129O+MHLKv3Eqpj78s+k/mS4NPRZ27T79oyJAOum/PsZbSsB+C8G+cGCcPmxE/T+qdCw/y+e9Py/RhT5Rsri/D3X6PzcfaD4gHQ8/tqi6vx93REAfj8++vKgiwAJk/z8LPAQ/PsgpwEakA0Am7qC/iku0P6iIHb/HWO2/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a358bceebb0b498ec25291b0ec5e57e6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LSfJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pfV3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bt9jPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wHaYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Fvvrvi3Pe7+U9sa9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADgLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "i6fRvQKCZ71ZzU87gK1Yvk7Mib8p9tY+ytMPvojXYz/zLYc/tKOLvyDxJT9K5wRAu3Kavy8+LT4CGIW/fMOgP7xYaj1VZya/aDaYvz1InD+1fKu/bdO1P0Ayfz8VQZa/p7YHwOC/Qz+Qsdw/hB96v1qTur4trx9AWvv4P3u9lL9HDZK/wlYhwJxpmb09YA+/NyEnwBtEgr+og8a+5ylkvwXhrz/RizdA/k+5P1yeB8DDG4C/TNgcQGFj4r4S1ho9IFQlQIB6jr9bKAHAefR8vxZ94b7R9va/+VwLQGKDa7/SymQ/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f290127895ac5ce9122c31859b4d64c3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eh7mww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dJV+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6KF2PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9x6evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QNkkv0zDED4j82i+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADwLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "DVeWP5IPYb/BF9i+fIpyPHyxo7/xMAg/sPFBPpFH0717Iqq/EqGqP5optj4i5Mo+qqoPvnhyaD45Rxk+8gWIv2kHoD83izo/UG9MvxBiRr8bNBHAsswFwLDYWz/wVCc/wAwwP/lbPz93Iea/kLk8v5km/r/U1Tk+OjlVv2WPrj+XKuY/fe2lPqbqyr9p7Ow/MxRpvwjQHUAWrIo8Z5uyvxvgSUCOX/Y+3A6ovwaZ0L8ugum/06DHv35DZ71KoCXAHo6BP/NAc7+/ewZACXkFQELjtb9Sly2/v5OSvriPkL/nyErA", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fe6e97ef625e68ddd9f532eadcf62ca7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9pTTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "u0Nqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZOmDPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NhyWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2J5pvxyZx74N/TO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEALRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "7VtxP+OdGj7gHA08o0gwvquMTT7Ydog/nir2PjddL787sJa/kBHMPw8wlb+f0IS+ilPbPzQLpj+219+92COUP7OVAEBNkHY+hF20P0GgAMDqPcw+RKqkv2MxKr/XHwA/oANjv5q3mr+cRVy/5VY8P1cCyr4ROAzA4qE2PlZuO74f7wFAPfP8v8cyNr4MMUO/Rk4Lv3QhyD+35ac/bGSTv1d/DsAcv5C/2lrhv8bwUD/ee5K/6DBAwMbW/L5wAmi/B/Hvv8TXob8osZc/AeSov1iI4D8fyEU/TpcmQEvxjb+3HSe/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d0cdb06406880e85d26661f6e3a723ef
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6Z7uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Xfxdvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oBpvPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "guGMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "whJPv4nvBD/Zzsc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "FdBSP8f2NL6gYII9RvMfvlcVKL+kFI4/+fEMvQp8+D6fP4O/SQ73PwcVe797wJ2+hlqav7pJ9z5gGpo/+/MLQKm4hD5P/r0+Bi6Uv506yL/EIdI+FM6rvxKVQz9sQZC+BgOUPlE9ib/JxQBA4dszvpj/ar7rBuy/PccEwMV5zb7H8bI+e/sVP0Ic1j9eU8C/W6hJwCq3A79v8JQ+Urqzvy8slj/43ABA0rmvPodF5T8CLhvAYzgkQD+MJj5ynrE/9Db5v48szT8mRhu/j7koQFXuhD+8lnK+WmTCv43gDcAaEo0/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3d3011be2f8b59783fca69bbd045ef12
username: gastegger
key_value_pairs: {}
data:
  {"energy": "v6Tuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OSd2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "f99/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WS82vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "j6Vfv9RIk7+2EOS9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEgLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "3pcuP+YuiT3y4748xPTWvhwIPT/xYV6/7puePciUo79Z66O+tQQgPw4PDT8S4ro/PTODvw5NIb/VVpK/0DSivpwSsD6tbgBAhR4FQGAUZD5b5hC/+bUiv8v27T8S8pu/0t4FQI1S4r0Jgs2/DwgZQLJJoj9mmwO/tQEHwDIAjr+7Rw2+JWaSvysZbL+BIgzAdkd3v/Za7L8Wqxo/YsxWvwK00b+EaNU/GT0mwJPKnL7jeNY+tZ1/v6mjO8BGS/Y+r5MyQCfBw77umP86UrHBPxjrlT8irP4/8184wK6B37+eWRK/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 96fd4b6cec603fbdf3a0027fda451321
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IDvkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ea10vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yVlYPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ixmBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TrRrP6+Ujb+4HmW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQLRg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [19], "_dtype__atomic_numbers": "int64", "_positions": "mPD+Pv97/D18xXg+0oBEv+YXEL9FqGS+7OXMv2ltz77vhus+NRWHvx6bN7/kqNa/EpVEv/Kg8L/ua1m/UXZwPlbOzz//c98+WciRvp87xr7q8BfADkT5PtmJJcB+J4i/44amP9ncfDvlE/u+sIIEwE5WH78zOQPAfBdcP7OX+r5Xwr4/da/gvf1g+T+2YNk/eoKlP5b0+7+Xmb6/30mOPj1VIUCblum+0/8LPztCB0CA4qy/4Aqju45tkj8w1Q5AaG3jP1iqiL6MCNg/Y/1UPwIAQMDK7ua99gScPoZmWsCv1+C/", "_shape__positions": [19, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


