# systems

unique_id: a7dbcfa2326f428627e17a74558e572e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9R2Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5pFfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HETLvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sN/zvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xY9Rvpzhlr4gKTI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACgQA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [8], "_dtype__atomic_numbers": "int64", "_positions": "aN6OP8683b5lYRi/ayUYPh3SqL9Z5u6+2TCBP/ztXj+n7ny+S62VvrwYqj8cJhk99cnmP22/zD+v9Te+8eaCv/DK5T6tdhg/5lgxv12xV79kcf4+e62lv8rKvb+qj38/", "_shape__positions": [8, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a6ac7814abb2c08f983c42e230ae1053
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CSYDxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4BCavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jBE5vg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aCD2vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ITzavlSpAT8DJhA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABAQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "9MJlP7Xugz0Xfw8+5Ra6vLxFpj/pDb89cuN2Piq+o7/mzFK+qtWNvxJioL+KN6i+q7EDQP3/Oj5QjdE+ew/9vw07C71FtwI+exS6v6g+hD/nH5c+pHNePyv3EcDAV8K+LdGxPphwGkDmdby9", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: df5aa54848e74042d53d0edb0fb08c29
username: gastegger
key_value_pairs: {}
data:
  {"energy": "D8/oww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hGWMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lIP5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Pgkcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sDh8Pg74rD6vzhE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABgQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACQAAAAAAAAABAAAAAAAAAAkAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "w7E7P98p572Eew29u284v5iYtb5av9Q+rSqBv65xlz6U8J8/JjzHP1tPfL8kufC9JE2MP1obqz8JxLi+evzHPrO5EEBKBFK9S/zBv6Iamb1j5Sa/4DMFQE8OuT/3iFu/sNFhvwcd0r/8tUI/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 604d96e292acfbb586dadfe673ec37b9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "s9DUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "i42Rvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Xd8Xvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uTsLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "b9PvPnztCb/fbHM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABwQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "m5zUPjXLlL16xH8+xBaAvhtVhT/tz5e9oCOrv1u9Yj83p0q/OcTdv1xQqb7L85S/gRGBv38ks7+hE2a/Yuy+PUMqpb9jJzW+WZfRP4/nsDxMUpE/GpIHQNO3db+Qn6c/gx4CQHIohz/CTcw/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bfa95271471143c36e37646ae52cd782
username: gastegger
key_value_pairs: {}
data:
  {"energy": "bLy7ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8WOEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qAHjvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DkcXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "T13JPp7q8D7LZwvA", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACAQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "gvgZPwlBwj7GsqK/kI03vwruQz14+8G/Hc+jP8DiLj+8u/m/5ja3v9JEpL6EDgG/oOIPvwLohL4w2hw/UUhXP/G5Yj6+bMM99MVRv1crBb/+V+A/WY7uP3Pm0j67mzA/4xCNv/AS2j3v3CHA", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b7103dfc9d25912a0fd6cc82f29ba955
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4jC3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "m/+Hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "X5rivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BrIevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LhwIvQ1x/L5cj0I9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACQQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAkAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "YwOFP+B5zDx3xbm+8+HCvkcWhD4kEe09Fc9lv0zFqz80mmI+32nMP1FRA7+C+9Q+3fSVvypYgL9IYvQ+RUWCPxcPIb/NZJ+/1pg0vwkNB8CPFcc+SQ8NwJ92Sr+m4FI/34fTP7Itmj92uCi/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 775addaeaa6a3f52f48cee70fe01c738
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4Gfvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tB2Lvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zO+0vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gsM7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eO4dvpnwy72w/ge/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACoQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAkAAAAAAAAABwAAAAAAAAAJAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "EQIoPx/Ga72PMO4+llrZvN6Tzz4fyLw/HbiMPRaBcb5IUk2/cAWXv7iBez3Y9X6/OerpvwPvCD9sbbA9XNFIP/cENb+ohea/DaSov3muNz8ImKU/C4D2P3rEuL5bkyc/x+A3wNhHSz8UOR+9", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fb7af1815c525bbfd3b998548f6f07a3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yLq7ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vxCSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "FhgCvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aAkivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "p5ZtPnwPx78kC4w/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC4QQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "5sIaP2hGQD2tKjG7vNcvv47vKr9DlNw+B+/GPgbenT/h+Va/11Xiv0UkeL5j6KU9TfDaPzU8pL6Y/50+fEmWPgFVC0DFMsC/HD/hvojw378uJJk/So0CP4gPAMDnlLU/aXqav4JNE8DsdMU/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c26108f457c0e72f364a0c5835d259b9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+Uzpww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hqmNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uYvwvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MA0jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "esc5P23FJr+Uah+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADYQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "pK9VPzDqT779Qn++SvhrPohcjL/nqnW/J8cKPlqUPj/F5h8/+AelvwYJFj+EYx4/MTGRv0kmk7+vs2G/BeXvvy3Whr44QWK9v8InP4inyz9claY/AFkKQFPV9b3JUZi+zUIfQHSiTL+/fmi/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 16e8bb27c2519c7d7a135a2e9f7dc179
username: gastegger
key_value_pairs: {}
data:
  {"energy": "U0nCww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qb6Tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cm0Ivg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4A8fvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3lmrvi/djD+7frG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADwQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "+7XWPgibCr7+QmY+KOcHv+gWhL+ksai97lnPvySBFr9mqC6/TBLhv1sjMj8+Cne/v0u6Pof8lT+fILK8Rc1DvzxIwz+PHSC/ve9nvw3CJEDUol6//TjMPyoDJ78xB2E/IXkiQA5riL+KrLM/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 57ee00962021c6d0a0f456382cf2e653
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NQOrww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LlmNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AWjUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XH4wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "umuZv91egj7WOQa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAQQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "eLs1PzKauL6rQQ4/iaXyvqjAhL+yLZA/XmXuOjDADD+O6CS/sqrMv5zqaj7s2RG/KP3BvwYkM7+hMQk/tTcJwH51lD/Dl8W+/1DwP8jasr5J9kI/vO0JP9l+oz+1h7K/1+f2vweLOb4Wo8O/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 78cbf61786929b8a3c782731d3cf0dda
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Rcm9ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Y7ODvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iBC3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gt4rvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/B2KPcGopD5fDFU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAcQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "2pVHP+ZkUj5VJSG+B7zmPXKEvL5WnJC/ET9sPi4i8j5K7ow/JBeDv27kCj5I/qo/uxiUv4TYNb+J62S/L3TUv/Uj5b4CSJ0+lu5PP/Mecz8vTfE/k0QCQJy/CT/S3tC+XV8swIdQPb9q9+s+", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 22e0604b52632e0b31bd2ab6ec843816
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1jPQww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tFuTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "w/PyvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hj0tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "30/NvdF5TT6GrA6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAgQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "mPHjvVbDCb+dj349KGqov7okgr8eCUW/HlSVPVy/TT8w2yu+DGcMP8yrnL+11Eg/wgPmv+dtar5cobC/B6LWvyoXCsDMaTy/CtGOP3SCuj/ft/c+xG7YP/49ST+j8pA/992lP75wJ0CjD5s+", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6802e8fce55a2acc5fad1841c9527be8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Wsy5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HciKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pWjlvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6Nsivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "N0+VPgEwfr5Prxw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAkQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "ZnSKP0UEZr6oQtE87ps9PseVhT6UU3W/UsNLP4WMDr+ZnqM/D2TUvgsy3750mdU/vlyPvzr8wD4GUfu++jqqv8PfFT0AMz0/f8wTP2PBBj+9JATApYYDQDpIrb6KQ26+09cVwLDd8D19zpA/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 64fee994349ee851296958b4c3df58dc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CqOgww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qyGBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QGrzvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "No4Ivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CeEhP1JJHT51dr4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAwQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "rHjEPrphFz5nfG2+QoyJv5VKur5IF6q+iIuCPzSZ1z77bpy/Z1h9Pzeklz5B9pA/2umgPqNKhTt81wpA3AfKvzV+Fr+SvB8/fnYBQHUgKj+6To8/ufXMvzew/774vbO/AQ1bP9UiHj7Xh0FA", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dd5284a04bae5b764cc248aef13aa7b5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/q3Qww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WHR7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "N2z7vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eXz7vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LA7fv3gomj7dJAY9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABAQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "UMRCP4KMBr7zxG68kAC2vutmj7/Anck+tZrYPPCwlj+9ZMa+z3C1v7PkZD/nGz6+KE7Qv7aevL58eHk+S2xXvq6qEMCFw0E/0AoIPxojDUBhQUO/yGQLwNBP0j8rKL++Xp8lwOX5Ub97/+w+IXL4P0zDq75wChi9", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e5b75232d98959c959347670d2d28745
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PsHOww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WiyVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jWAjvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "J/gGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FsFfPtaLwb6wctg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABgQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "Oz8dPzarFb6KH7Y9Oolovx9yhT1/2k49dOTUv66P9r4Vl1A/k7qwv324fD/moX2/IAPlv3dq2j/QS+a/Mu6oP7p33T4J1jO/azSTP7Mji7856JE/bqHcPljFx79sHec/7wUZQF66qb9PjaA/q0E6QOXMSr8Dags/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 128bcd10102ba2e1c4f29212975e12c1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LdHpww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H/OZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1NUdvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ahAWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cY8lvplksD9IM4a+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABkQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "QNgfP5l3NL0nybK9utwyvz+4IL8oan0+iQTev88SkT6fg1s+sHNpv3CR4r8uBwc/ql3Gv4c6zz/9Ac69QZpLP+DCmT92vcK+uAWvvrC2/T+ZmLy+E9TfP122b79XKZy9GPJgvhz+QUBkqRy/rJ8pQP6V1L8nqKC9", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: be20153f9490a154c0116ba0fdd315db
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jVHhww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "k42Pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "X37nvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9lsrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lgn3PxakAb/0/VQ8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABoQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "K/OiPzxFYL4xqik+lAE3P7YcDz99+oI/98Ajv7GTST9IAVc/h48LP5rCU7/5KG6/fDwlQL/R/74Nz4U+tNGvv/EXYT4mBE6+rfM0vyByH788yY2/FlYiwDOL9z65vIe+hhg8QAmuAb0s54M/RuWKP4HvvL8ySs+/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dd744a31fcbe3f1fdd03df6ecc7c010d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WMzMww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Jeh/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2sj1vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uAMFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "igI9v+/hpj+7Cim9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABsQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "ZLyLPzOq0z7BRoS9JYSGPX37uj/CT3W+Z7gwP75G477zcYM/ZjOZvqtll78vMIU/8EMLQLwqrz6OaBO/mCSbv57Hhj8wzMK+6JPLvyJJib49iCG/6YYBwAJa4D+aowu/OLq4PrAfIEAfJae+fU2Pv8j1p78QDQS+", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7bddb8fda616d101b20f4fc74256cbb3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GtPMww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9+WEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fscAvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cAQJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "flIlv14u4j67Cvk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB4Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "QifsPrNNUj10clY9tBuFvuA6NL9sXEq/Omv+vL6zYD8MOXs/CySsv0xEdj/q9Io/M97Iv72VHr+QiDC/I4j7Pzlqmrui/ai8x6ADwAclVj5cVXo+ad8cQKp3Kz98CTY/SbtIwF+Wiz6hnaU+5ZckQLgNNL9/TUm/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9ff8053493ec11260777cf4196392282
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GtPMww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aOeEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tcYAvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GwgJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "98zSPakT0Lw9SWo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACIQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "v/6sPmQmwD0o652+km92v/20Rr5ZTPK+hQfVv5xy074zOR4/ze16P96BNT4SjFw/vyuYP5gQtT7pGsO/xxqOPpntLL33oPo/o+aBv3rip74J0eQ/GXMPQBGnFD+I6qG/jq7Mv9p1Ar8QuStAKiNGP/NSoz7JpinA", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 21328126af2079ead026f6dc919aebee
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jmfjww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hjeDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kjy3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "w9Aqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aTrLPjQumL+fzUK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACUQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "kMqjP9Hi3j2KWos+bBbqPkNxgz9Z8Ec/UBVWv03+Zz8ZQv8+jKlxP91Zb7+ZpQC/I48kQHuzhj6o9RM/2WVDQPv16r7Cdx0+uQydv8kJwb2VBYK+ws2vvuVdhb9PREa/pskvvzeK7r/JvbK/WYIhwOUqPb7++wO/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ebec4a5d4e399ddf576bcbf5c53a0784
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1nH+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nOCLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EW8Nvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "J1IKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "blHmvbiSFT+z0oQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACYQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAkAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "uuFqPyT+lb2/exq+8xYcPTpjhb9N/+e+uQWdv91wTr94WkG+WEPAv+QKwj7LBLY+yKwnv74nrT9wRio/Wa0wwJFsGz8ReB0/PtkcP6/mjT/W8co+gTYYQP68lr6fgd6+my9AQEAHEz+LaRm+x3k0QPCupr9da2q/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cdb6bca3a11a54864fbbaa3590e9dfc1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "plzCww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WKxhvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lX+tvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "juwKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VU0AP561W709uBu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACcQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "tWldP58KXr0++2c+w3HvPQ7dv72F46I/rO/dPmDgX76i8pC/+X6ev1LSrr4swGA/2+BDv0eJdz1DCq+/SPXBvy9W4T7/eJS+argfwB1EiD6Yb/q+5YMMQHt2Yz4kC5s+dPInQFWOMz6rVps/3g0wQLSXoL14vPa+", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 444fff4182312f33ed9e8b5d0d3ff8b5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Il38ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GxCZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5swmvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UFMLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Vp8Lvo9ThL/Q8kS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACkQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "s1I2P6yYjLvkxxM/E66UvpK+kz+emf8+3g2nvzAegj/Z79K+pty6v+/ZHb6P6ae/3Fllvq+FCEBbrJY/YnQrv9LTib+4maC/ikLmPskslL/UgLq+XmDRP0zprDyspqs/2VeZPwp2C8C6276+EBdeP6l4NsA3PIm/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7df018e090ba1805377ed2bb8e5d37e0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kyu8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dsKbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9G0Bvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+BY2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CD2Pv38wzL8cfPE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACuQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "4XYuP/MhgD4qdCI8Bi84v+OopL4Wql88sgpNPx+Azj/LsAi/lzF/P4NsK0Aug3C/CR7Svzqw3D5SQOe+Ed3SPwfrr74QCtU+w3UjwBYK5rxSsNO+WcRevz4J0r9Z0Qg/UhKDv+I6MMCGLXc/gueTv0c4b8C0pqw/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4a89c43f351fa9b3439f2ef4a0dfeb90
username: gastegger
key_value_pairs: {}
data:
  {"energy": "bb7pww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9DSYvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lgkPvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UmAhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/YK9vnOdZj5MVC+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACyQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "KvB6P2dzV74r8yG9u7Y5PlQNM7+F55Y/mVYbP2z/hD8JGBu/TqgDvwTcrz/Rzry/4zDOvz7cUT/UEaG/OSWev5O2Hb+AgEM/nmopP1sWhr//vQ1AtCr8PwYcWr+nE+2+1ArRv6DPGDxSdFW+8x4XQHIh4L533qe/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b50bcc45f59607e99d21752070ffa61f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "aT/jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CI+Gvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LekYvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xmnovQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iEZ3P4Gy2T5cPV8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC2Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "8XmbP+suHj5gdom+/6tAvleEfb6p2j+/ZFyNvwflmr2i7vE+NPCFPyAyCD+8vpg/Km2yvok/uT6ANcI/ItzSP1TE5r3eues/3ssRwPMljb572ws/UKWqPxlIyT8/mq8/3owOQBc/Kz78j2m/BgMEv9g5Hr/EiOu/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 22e3d3c604f05985a0c5292f0475be2e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PWr6ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qaWRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YqALvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8KoXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uYjvu8/aJT9tVp0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC4Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "xpmHPnu2tD7AB68+6w80v8JqBz9g6iu/lzXhv6nC4L1gIha/yPaBvrdwHD4WadI/MNClv4Xa+b7sEOE/+MT2v59vcL8hIQo/1zjBP9ZM3D6TUys+0ZUGQDSbEj/5+oy/pislQF41yD8tmpq/f28LQPDmm76KXfW/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4eb65e12dd79266c7c882d760929703e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "F1/8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Y/GTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5Eodvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4pcKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hsk0P/ZiID8eUHY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC6Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "zrN0P9A3JL2ncpI+QXHMvUcxPz9s5iw86HRHP0/ctL8Iarg9Rt8Sv9mn7L/oXNE9/pekv8Mkqj5J3X6+uCLcP7AkCMAUCnW8UbqJPtPuDUAMch49ePOpP+ALGUBLT6A+UKLCv/TVhL+eYWO9rA0Dv0ekRUBLml++", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fa201085e16836e335918ef76516f4d2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "os3cww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6zWNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oSz8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hlUcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dJgfv3wsPT410pI9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADCQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAkAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "HaTEPnSjfz5pHdA9Ve9yv6Zrnr6N3h8/6JysPvqzgT90WJ6/di7dv2Vn6T6qiDk/srNKv8FCdr900uY/tguuv2JKlL/dX9C+pDAlv5/mgD+VB+C/dxe1Pxd59TxejC8/Z76mP6d1yT87pda/pXQaPsnJlr/HhfI/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 22f7c0d874ee5a0a720fa0e24524fe4e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ozrjww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9SyQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ryIDvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ozcdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lIcNP7hYMT8k0Su+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADqQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "uFz3PjqJ177k/l6+jzKAvhbrYD9rs5u+XgStvzaegD8FMki/kwP4PhS0BUCHHo8+v4/NPxVdAUAeNDY/RsTsvXxKQUCTJYE+qyFNvs/u0L8C3YU+37Ptve9pxL/+5Ia/janIP9ZKx77Lc2i+mx8ev7wCFsDA2Y0/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 233cb0ec9f98bd2849ab7cf9aaedce61
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4zG8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WyaTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oRQdvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FTgJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "rDnAPeeMpL9Xla0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADuQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "DAjLPvilpD3ONp2+3gFfv+S/mr1kehM/SLfyv8nhCj/lu/Y+BAIAP2UMgT86MLC/udfrvpOAk79A5sE/qwoEP0Fv4z91iQ/AyQFKP7c7vr9kSpY/+eeKv8hxxr/pGRNAjRypP3UKO7+ZT189viW4PxumDsBXvc4/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4cdd4711c37eee862a40314dc78297bb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "W0W6ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "b7iPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "FCXhvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VN4uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "coqCPyGwaj/H9JC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADwQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "69tJPtSK/L6eJLW8+WlYv9FHI74Q9UI/Pj2kv8qfij8X/kM/W/I4v1tlAUB3u4Y8c5OgPt1Y2z921US/sMUeP9Sh7r94Lck8i9pVPwvn3T6TvlW/eTvWP7sELT6Qsbu/jJ04P8wSIkCSLa2/gxJ+P1lkPcBDAwU9", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 48842615ef9b051a837d624ff16e3721
username: gastegger
key_value_pairs: {}
data:
  {"energy": "30rhww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nMKKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VmbKvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DVIwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dEGNvvXWoL7ufD+9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADyQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "IQl3PyVmmz6Cyfi9HEsDPaxeU79lapu+2F2cv0aeSb9t8Rg8ZowHP1tZ+b+xyVK/p1Xev8bmwD50dAw/7Ep7v2UFvj+R6kM//ECKPuOsuT8kEek+jno/vlw/JsC4mWK/aehTP1YkF0A1OyY/kUQJQDvSjj5fj9K+", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 862906dd562716bae7ea59bc562b5d2c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z97nww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "d4STvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "FY4gvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2XoGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MlVgv/NUJ75kdQM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAD4Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "ytxfP5+OE76Wmc8943Q+PgwE574cKZM/0nTkPp34Oz+m322/7e0OQNMPFb9J/ho9u+pUQHuDcr8tp0q9s1KRv0QukL15YIw/rp9Hv6/TeT/9DYK/BzTVv3oYnD6/dAi+BAY4wCKQHz5n5d2+GLNYwGwptr5W+pI+", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f2903e2b0a92bf2329f7955d1832b209
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SF7jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AW2Lvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pdvSvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MGwtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iLoHv2fyjT2dS5G+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAADQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "5y6vP7adBT+DDaw++s0MP5AzDr+z1xE/nyVAv++q6b7EyLC9tMZgP1oaxr8IYKQ/EEKIv1ILHD/RiVa/f/N2P1Bi1T8y3gC/lYXLv0ebub/sirs9n1Yavo7c0j+V74C/E0LpP2ygt79r3dM/7+cAwM5OOT/Spqu/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2560b7f7948a1a7631a3ff34959a9ffc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Z9TMww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FhOLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tTUCvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "d/ATvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/wk2P8Mqnr6FX56/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAJQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "q1HRPmvKW77D2S0+nkswv7cpoz7Gqjk/bbzNv2SkUT8v8529hpy4vwVkSj91PLK/BbsmP0vCkL4WiZG/K3elvoqceD4vw++/mY+8P6PwSr/koYk/zDAVQDItmr+h3QE/pShcvozEbj75ET3A+xOzPyUtTr+XdRFA", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b569c051c9445daadf8b8020f25e43b4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fZ7Qww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1QaPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LnYLvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fJcSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RKiSvnIzXDwJ/re8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAALQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "IH7BP8yDvj65xzQ/r7gWP3jFkD9ILTy+6CVAvxr+Zz5+5Ou8kiKNP2dGMr9G7Jo/bnErP6EVCEChR1K/yHIhvuNfkb+YNgY/06TNvw3OFD5UNIu/HsGkvyVAOj9Q6kk/dmcfvxM9DcBtXZY+kdWmv/T8CL+k29m/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 79e7fa45bf9c2314ccffb4f27c0aa1df
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jNTMww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FJeLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HZAEvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "C54Svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LIJfvmyyBr5uFzo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAARQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "OucLPgPnh71Sjua+uJRSv3JfNb940Fs+NGrYPta92r7n6fG/JWRzv0//jr6uJbs/VH6eP2UqMz4KWhXAK4NnP4deaD/eQlM9T3xhvpakMD/NLwJAc8E1voD1o79K/B7Ad5Lav+WKPb8FzAVAjeo1PxJ/oz+NXac/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3c5be242e6df62c1ca76aa1c29871305
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EMXpww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xFuXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qp0Rvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3hkdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "u9WTP/AWmL5WK5M9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAUQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "a0YfP6lwMb1TKum9WDcRv+KN176zmDM/REPcv4k8HD5AK44+M/cLvxD9k78J0NI/83MQP3d9QT+nbJG/tV/vP2YYGL/9SoU+3ZMuv/00oz+tXry/9sHdv7alhT8llmG/UW87QBt6iL8ofBU/ylp3QA7svb/pCF8/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 72754da1f9513788580bc185c2dd2a04
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2F7jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+zyOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lkPLvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "K9g2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "t5dcv61MeL7pZXQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAXQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAJAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "OkCAP3iEjToAp9Q8DZTcPo129r1wlqE/1s0VP/kFAj/T24q/5qtAv2lhiD+NtGq/VTkPQKS06b7M8MK8qMBVvy7xsr7/7Kw/9gbNvwb0lDvN5kO/Mezav3/IJL9FjaY+2Jihv8Vi1r7TWRZAZG8OwO9ybr4jEtC/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 13ff282a26d02500829f90d6bff76a63
username: gastegger
key_value_pairs: {}
data:
  {"energy": "t3IFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YMmNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QpgLvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fvoPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Ic1Yvyy39L6YL28+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAeQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "1JpiP99Vaz0clUE+nOqpvcCrzLsBm7A/xK49PjBaj7ztS4+/ICe+v3p52r6gD3w/P3H4v3E+UT1BY5O+u7SJv19qvDxO9au/jPQEQEfjRz4Jopk+isiIPh8UOz6d3yBAWki+v63Bw7+Ym3U/2h4OwEJxub0dp9s/CAN3PxVwM70/2AvA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6d8326e8345cf47e6476349e48e9ce0d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "N2fXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "x/N5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iEl4vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZeE7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Y2LTPl70Xb+Kq8Y/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAhQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "XrskP2Il+z4JjX2+WA/YvVNFUz87uKK/srAnPtWJ177iVDo/6CjvP+bqhD97iCO+iCsTQIHwMz+Y9CI/1sqqv2QTlT6f27C/Stbdv+ZPDb9Ut+W+HGGDv7ROcr/NwiE/xvZ6P/koOb/tiuA/yAgEP2LWrL+b9RRAqqEuwPuKd7+zghC/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 62cde3771d30ccf21700bc1b50abfb06
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KW3Zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "63J6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SDKLvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "x9k0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uHXXPn9qvL63f3U/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAjQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "rneNPzQr5j7myGe+p34lP8sR377U7Tc/OZQmv+E5Br8tvIw/M5rKP2+EmL+VpqQ/RvfIv1343D4Q5Q4/vCzAv2frgT/2Kxq/g2JAvxrA3j76Osu/2eRtv4HymL+jR/M/K5vgPvT7ND75rse/ZVAGQCnnpj6R+8i+eBAZwDtERT9HLZg/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 11242d2ab214239f1f9e8fd6bf159309
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xjy+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KQiGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WtfovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "paQXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YDwbP4XrUT5pAM8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAkQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "PPWZPa+QXjzP2EW/PkyPv+ddOj8Hsq+/qnzgPaFTg78ot46/m2uAP9dz9D48gZG/xi7CPTmGez16UT0/VIhEv7zWDz+2TbY/9oanv8Mi3z8Ww3e/kdvnvysegT4GAQ/AHYWnP2lNEr/0prc/K5wPQMykg79szVQ/cieeP2PIDL98piJA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 88bc811ea6ed35ac3ea1b1113614ea5f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "F2ryww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PC+Nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "n6wYvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2bEBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2SUKvrmlVTtnLBo8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAsQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "jLlaP/kb4D2aVc+7vi8aPozMCT98r3w/hKPqPuKkb782RV2/NndBv2Wun7/rQGu/b14RQFkFEz9ECiu+SAmUv2mt2z3Ixn4/3Rw1QN7avbxy5Wm/Ao7Vv36v7r5v5Ce+Fj04wKDNx767lvu+eMJZwAZ0XD732BA+QNUvQPXtvz/tMd4+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1a3be596515fd7610afb4d9bc7ee82ca
username: gastegger
key_value_pairs: {}
data:
  {"energy": "K4wFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lQyAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "up+TvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TUk2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VpqIv8LA8z1I/ig/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAwQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAJAAAAAAAAAAkAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "2z59Pxvf4j00ow+/foZtPi1H5742Aru/e/b3PlSl1j5lqDY/lsM9vxe0Ej42dYQ/uN2gPxukgD8+ss0/ybIPQAMhyj4KEWC/FAyEvxykP79dMpa/xBK8v89v576hYXg9vKcvwNJGTb8u4rs+6gBWwHvWib+bHcm+eklKwAfYzr6DbZg/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6080022042f6afc08f845cfb8364bfbb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cuLfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ccqMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eVnTvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Jugvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Pu3gviBeR7+jO5g/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAxQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "RUGfP3CXYj3hZ8Q9d4vsPWbWNz8hjji/J4eOv9iXfT/TYqi9UFjzv5/SHD5czew+aKRHP+Bgib8PC2Y/DsWYPhXQgD/D6O+/BonQv6f6n79zMBw/v9DQvoFyp7/Q1Uc/Aw8bQNTK9j7Y35o9xSRDQEkkm706Iig/E103wGW87z6PkFo/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 573ab1fef6edfa9d9d07629d593770b1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VOjfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OPePvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mN0Dvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2BAcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CMmyv+RmKL9XQ44/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAzQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "6qcTPwVDRj4hSII9ip0ZvwkMwL1ZBUm/ZQXTv22FFL+8PzK7dJ8wv2pKXT3L7P2/WV8YP6m5+zvvBq0/XlEKv8Bl9b7aefc/EEHTvyo1R78woag/InsFv14LIr8xSUBA+7IgwBHZT79y3va+KeffP4M3ND/quxa/fGAsQBmsjj864o6/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a5174ebe071a89e3ec57ec153d57b914
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6XHyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "N6WEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "guT9vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LVgKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EEAyv4WUJ78S2pY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA1Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "quNePzmbyb2KVUe+98ymPMFKJz9Lymq/1PKcv8utNj9Ukga/0iHFv/jt5juvtBM/jis0v3DaPr/076Y/SXgzwLEYmj3T13Y/KHU5wBKy8L6qPOE/B4wLP8imS78uAmY/u6cTQHW5Qr6h9hy/EdA5QIouVr8Fcnk9STcxQHHUvT7VEsm/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f52e79368128ef5da1a199babe5198e2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7Uy8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "s/B1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NzWQvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GNYtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "X3v2Pg6+UL7G+Vu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABCQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "GJlkP+YK6z2BSD48G5JqPkm2lj+YBIi+nPeTv+wLhj/SdI+958LSv0pEgb73e7q+/E2IPk04jr/W5AU/djt7v9BMqL/djsA+4GfGv67w774/q7i/yv0OQGak2j3YS8y9sqFjP2F56r+aeYY/r7MgQC+WfT/hgsS+7PYswBjrXb4/kcC9", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 74a4695aa7628ba8853e0ee031326856
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SV/0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YcWRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xqYFvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/OMdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Imwgv8GLfj6Ampo9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABDQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "pJpCPzOvQr5NkJg92uGuvgeNtL63Dy2/iXMtPxx/HD9dcZs/zYAqv6X4lT8OMLU/ZfPWvwZPdz8ldiU/mOvRPzJCRj8mU/M//XZNv1VT5z85RRJAjajAv6v9Hj6fk+6+RsYovjUknb/sZfG/VQdhPybE378SEAvAh32MvzVfqr95Ah7A", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a58ab23d3785e9e34cd73d22b0f34554
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AOjfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vtyPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6DHqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iKAqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "thAOwMXJXT6mRLq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABEQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "yMEHP9bKGr6pNj0+p6A4v18VGj8eDc4+4zHMv5TWxD5nryu/HwmAvxumpz+MlKs/Qv6iv+W80r4K5du/GbtHPzGKZ78/E1q/KdfFPyZ6Mb0Lipg/d3IfwA7pWj8YjiC/mewVvmQahr8bH+y/vhwBwPbEBL/UEiDAdvUWQFsYUT3ukQBA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d275fb85897f90c0f82b2f5be35defd4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "o2D0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Z3uMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Tx8hvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/q7vvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dsMevyegiTrir8m8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABJQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "d+qJP2vnfz7D49M9GechPFiYpj98g50+YF6WPo/Xg79DdGy+kQURQLZlwj4yHDs+LoGUv2eiH79orke+jHWev4dKOD8bS/A9tPBRPuRrIEBh3xk/3443P+UkCMCWBPK+m8wMwPBfpr81Csu+om/3v+jWEMDwphy/IH0sv0BxQUCJzC8/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 496cf0321ad95e472b67be28e79900c6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "R0zZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lDKRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "B2L5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JLQlvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "m8k/P5UO5j52T969", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABKQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "bU5WPwyxhb5FKLI9tuIuv5sAnr4HWrg+R0GgPysslb9bxQo/7FG6P5/WWz8kOSw/yyq0v/3zm797g4s9pI6QP7ObpL6/MrW/edGtP3V9LT9C9Oy/CCKRPziZqb+5jgTAAsKPP4M61j9reo8+XaGZv6eEZj/VroU/GU/YvwBc6j91p8M/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 277cb0aa3130334e7561fc74eef6a731
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LOPfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RWSQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1PPOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oE45vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qz6zv8HFKr4Svew+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABOQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "WwufP2K03j1D6hC9z5m/PXv1vb7aFHK/MquFvxfzgr8Xvtu+NjaMPj/MJr6F5QvA76jrv6t/Er/Hl+s+m2JCP05CMz9qRZw/kzHWv68GJj9h9Jc/14UZQG3837vx34m+WqbmvjgOSj8z9qQ/SGsvwHkGkL9uOjc/FDMKvy3Q+r7TuC3A", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ad12452ac1d8ab07664dd8337cf0a053
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XXTZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XORuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "voZgvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rMI2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "v0NZv3GPJT3KFa4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABRQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAkAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "YYRqP2n3hD5jAau+lrgZvUV3UL8Re4+9vv6bv+BcK7+O1tE+BLqqPjvIxT8TeP08Z4Vcv/H02D/1NAQ/LoKyPn1bA8DiFrO+tpIGQPdCGj6MQFC/RTDLv65RFz/mSC8/2mUUQLZ4VL/cKoC/BpdsP2JrHEB5K9m9CLogwCNUNT/LMIg/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9c205494bff9c5c7586f0bf963587cfe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VOjfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YvWPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jNwDvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OA4cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EceyvzAqpT/ZCIS9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABUQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "dyMSPypxer2EMli+bA0Wv+H5Fb8M8Qs/9SbRv6Pxqz5IcQU/0nYpv5sn07/BY48/GTbTv7Wiwz9vMqC9NvAewABDpD0dhYE/23MOv42r7T9cbjW/Dz4TP8yUjD+VfE2/dbfeP9URZL/0epG+oJ4rQIW9x7/vZq++LbwMv4B/NEDCzJm/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9246de30e9427a24d1b457e96736d7f4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5Mfhww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "48WSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "V7Mevg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "b9gGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OC1QP7sPjL/nbyI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABWQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "jg6yPoPBMz5J5/o9puLgPWV4pL8RhoU+aZZJP9b2oj/lSzq/ireAPp2xoT8/3zw/aSqKvXlw6T+aIt+/acI9v+jSEEClziTAbDXsPx9Evj94ola/rUTGvsGw5r9M4c4/WzOcPvftAsDOrCe/rtIMv7S4i7/MaCRAyCERv5hXOcDX+M0/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a29a26315c1dd75febdbc8e69ddf5b65
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6/ndww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cEKRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HD/0vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UmUovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "l4t4voBgDjyBPpE9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABXQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "lI0pP9qua72cQya+cAAnv7HS3j4T5kq+LzWLP1Uhhb/aqSA/bItDPk9rxr9YebM/sYbIv1JT3L1OJh0/0IS3P+LeGT80tIS/O96Lvy0Xib9CSK8/MCU4vwfesz9U2Iu/bEUNP6DPuj96nce/hH/iv7JWyL/9swNAiyRcPww9CkD/nhTA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 55d2c64845b0bc36e199453fedd3da6a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BK7jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2ZaJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lWH8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6PwUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "u/LNvxHfAT/x15Q+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABYQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "QTwiPyg/mDuroBm+CLq+vsYAVL/9z2o+5f76Pl5zsT8jQLW+Q0HPv16PoL5wE94+MrK9u2VkEMDbdcc+C9lhv8c4+T+zgwG+uAnVv20Ycj+Tvmk+TDmFv5tBQEAQFYq+D+m3P7ZrAkCQgTC/MQSMP86eLcAcrFg+6HBhvyVSN8BC0zI/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b264571c994eadefea0f0f2ae5b9f280
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CtThww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HeiJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qwQLvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "j8sIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gPGcPmCTNT/Th04+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABZQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "UQaIP/r8BT6BuE6+6JYbPfPaaD8dfa4+bhUTP858j79TGRG/lzQBQLTC2z6RdZ6+AEqUv17uij6FgcE+TKZzvyN0iL949T2+BzujPorHDkBldUg/u7IOP+qSU0Cr/JE/c63cv0Xi/L+C+rS+5/KYPwVrAcCJh4e/bXkFwFR/LD+Ra0A/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a99429e0bb934aefc35e99fa8409b4cf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "h3jVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "m411vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZRyDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aP8zvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bAS6PxghjL6JQbC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABkQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "/iBnP2Mwir17BT6980Zbvvv69j3w/mg/tnm/v6tsFj5gTb4+ZAc2PIVveD7sowZAQozTv1v5Gzw0YWe/6Rkav9VrHL40vNW/08wzP/1dUb6P3qq/JYAIQHbntL2Edvc+HPtNvynmgb6vzSnASTYMQDt+Xjy7C74/XeQ8QNBWZ74AH6q9", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e4842d95e59241324dd2805bf8203a26
username: gastegger
key_value_pairs: {}
data:
  {"energy": "p67Gww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1uNevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+BxYvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mNwovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GedPvlR05D5Eozs/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABmQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "v4vsPp6egz5XBc+98RYNv3nwaT8sqws/fP3NvxM6ej1EzV4/f9Lhvxwgib8R91I+9Wdov9TRuL+7Gk6/RvYMwFK8zj6cANo/LaDFPjcSWr+TDT2/DSciwIXn5r+jis8+HDHcP1muaT/ngaO8lVkxQCW0vj/OUYI9iRttQN5c/z+ZXAY+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1519a3d4bc2a0eb84ef930b7b286bbd1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QEChww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Z1+Bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "onrLvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fQEdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZF38vjFCjD8Qem4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABpQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "6t6dP1NH7L6nIjw/BZEDvaAFrr1pvYC96T37vlNQVL+LFmW/v6zJP8Cpmj7fBrw/jVnnP0uawL8qjxU/a4Alv0LHnz/9npY+3pcnPi2r/z9Ui5Y+xAZyv1f/lD+Gtq0/WuTav7IMzj84nhy/rWEEwDPNRT9Q9Ie/7CoewI8FBUADag6+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 75ea3ee2eed62dcc63f4568305ff9ce1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "a8nEww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wf5rvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7BX2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lufhvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bw1svt8Veb8TCjG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABqQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "Gw7aPgZfNr1ANeg+eBH/vjC7YL8keRq+noCevycljr71zZG/0rmGvRrynT/BVgI/ew3dPwewCb/VeV0/c+0YQIqobj6H0aY/rfUCQDOR2r/8ckM/xJ27v2MCgD8iD56/vucAv2I38L96WLc7ENGOvyKg2D+lxRC98WrXv6flbL8RgPG/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e213b45907e26cbaad3526c96152d991
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5HPyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "C0eAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GvgBvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+Cv9vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+64Ivl5oLj1UV36/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABtQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "0MCVP/upaL795Kg8iy8BP8l8n769OIu/mmX8PjoSnb1grZo/wG2ovqkbkj/tR5g/NLcZP6L9N7+ynw1ALE1bv2ST674up6C/jU2UP79Jur67tQ/A433Vv5Ogij3P9c2+/6QGQKkcmr7TFAPAb86vv1oyiz+m8wE/9OwuwGIz9b1r8AK/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6ae623e63aac0675b19ea52c141ae3b8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FWjyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Lc2Vvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "js4Jvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zMshvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NEtCvhzrAj9v8IW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABvQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "JG6UPz/SuT1owla9xvQfPgFbxj6PU4c/OsMdPwGUjb0+6Ka/NK+Wv3LmXz9aKQo/4jTwv48Dpz4oCsC+3YnTPnzasT6MzA5AgOTHv+RJ5j8noHc/4JPVvnCUlr9dS62/Loe/vzN/aL8IAVu/B2AZQIAEHj4Jijc+xOo7QLtwNb1pqSq/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c1a4272781cdfc24ba7e9dfd43b67851
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5tThww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZyeLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7IUCvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4sgTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VB3Kv4Ca6r++TU+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABxQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "ZN88Pw7fbz6EWe+99TsWv/7GuT5QHgY/XiEaP+Hagr8yxYa/IIY3v6TOub9cbly/Hsi1P3Vgwr9Y4+K/ZyKvv51CJb/c3S49ehSPv8dCEMCJ6ai/c4gZwLMeWb/0zpk+FlHeP1BAZD+GpL6769J4vzRdrD8HtLo/FTOjv67iCUCU2w5A", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 431d4a37704267adac93d55374821a3e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fsbhww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zR2Nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/IsAvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nq8Zvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lfGTP9z0p72il+G+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABzQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "n2EoPydsOb0Syhu8LFclvwsqcD0zlDQ/pKffvyl34j23y/K976fTvzARkj3sqcC/yQ48PxQjqL04+aa/0U5Lv+V7yT0hUvI/933rvuNzm7xe+/2/F77pP94D0b0jkko/hgrRvpavRb33TUTA1oAzQEwND77o1L4/Jz5rQKEkL77EhAZA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c2d4f2ee7468a777f83b2a3fe0c3a424
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IXP2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DHaLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3c8Zvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "djj6vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4WJ9v2YUyzzir8k9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB6Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "cohWP3OTx72Cxqe8eP8jvfhuZj8wyDu/6wsdPR7Thb/Km1o/LDgCQFHv2L0xGCK+fPKtvwzmaL/Bumg/pDIrP+MM+L89hcE/i3L0v1vMhTyIklo+TCxHvB09H8B36AJAhPOmvxo1dj83XyK/JHA/wC4N7T2TFIU+klQYPwnV3z81kcC/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4bc8975edbd91a0315844050da8d4c93
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RFLZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1ox8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4rAEvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6LfvvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Afb1v9zXGb8qdI4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB8Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "xgU6P2S4pT5V0LM6XejdvuUiLD/BLnY/y6hDPhHMQ7+z3XG/MQrPvw4VVL4NuhA/py3RvglqvT8yoOw/hEqNv4F7fL92tQ2/Ie5IP6XZp79J/eu/H771vxgqVb/257Q/6kLpP5TwTj9ZhR+5NdPUv+Ig1r8H9oS/4U8ewNxW1j6sGpM+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cc55d0af379f0d98c1b0f17fcf5a7155
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XLHjww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FD2Qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Bkb+vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JVchvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GmmxPzcaBEB2Mii/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB+Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "ZFwzPwalaT37xEW96eH7vRR0ib+HKKI+h/rUv9RuV7+lBp4+SOCyP83xgD+vTrK+9RoEwMRGyj750h+90U4LQG8UBEA/6S6/ZEobwCB1278PXxg/1qA3QARzQEAUmXu/7sFeQO+RdUCcp5+/TJSpPpSfCcCVsx0/Ivelv+U8dD9s6m2+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6e2a6c5e4a0b6247d04b88d94e6a2f4b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ooMExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zO6Bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1ZWvvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rhIsvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Ew+IPiAMyL9jKIO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACAQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAJAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "60jRP6HYmb1UPG89qcV/Py9fhb9w2SC/Y52Tvqyodr+TYCm/TPNzv7myAD5nY6c8PciGP7IggD/v2Dw/4kOyvgrnhD9EYis/y4+Ev1cz7789P6i/q0MRwEr2FD4gul+9aBspQGqYFb7VLZ895LLdPzK85z8URqk/sVTgvmE+IcBvt9q/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b0b4fa9d9028be43ef9c5f97656a6217
username: gastegger
key_value_pairs: {}
data:
  {"energy": "p0n2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0LmDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bXEtvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZgS0vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "y/hPvwqdHz/0Grs7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICBQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "J46JP+IFMD7qAh0+iZebPQgZmz80uTo/cWmpv/xqYD9dE2E+TbCgv4QXA79vWdK+QtVyPoeMab+TzBC/BWvBPk2QBkAa1bw/m5sLwMFAm7875ja/OJXLv7ryzD+1AxC/uscFwHyydD+PpH4/tkARQNvGTj6EVYA+vwApP7qp8L+eEJG/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e57803d2a1eca679da2e33930addee7f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "w2b0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pN+Ovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XMsEvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7PMYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "95J2P7EWn70iN8M8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICDQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "Xcg3P40Lqb2PVma90LMFvyRATr4RMTm/tH/mPvrExT7IRp4/STf+P/fdwb58ORO/uYPEv3sBiT7xK78+YG1IvwhvGT+0QcQ/0TQ0vyV7Er8OROy/HR0uwBM2pz5FIHA+KDClPyRcCj/JzPM/sY/2P4t2O7/4ws6/PKQ/QFwWgL4bjYc9", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ce9e5b844aaae33192fe7b7e55daf5be
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rk7Zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Sn6Evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UrYIvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QkYAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qmC4v88xOL+uR2E8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACEQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "aQA4P85NvD7mUiu7sfUTv34oYT8wqBI/EnDCPgFJgr/GEhe//T/lP2KwZz+8YUS8MkfIv84DSb1JA74+ZoE5vzLs/j95MJM//LeMv4O8nL+v3qK+vj6iv3i4BsCGn54+N5fUv9BXrL9x8p+/7hqRPxVr4r98ipK/MW7YvwToB0CCuro/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1364280fa9744d334019ef4966f39053
username: gastegger
key_value_pairs: {}
data:
  {"energy": "INzfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UTKBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "E7b/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mIkCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EoiHP+AQuj7Goo2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACGQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "8LF0PxtFSjszFo29QkekPpj+yD4qiZK/ZxKmPkuPy773zo4/aDeAv3wQxT42NoW/7PkXQGVl2bxaY5C9L+JkQF56ar0N3IG9FgVxv+oFzL52N5k/VWDevxPtJzyKkaU9D0M8wBl7AD2SQc49n4rBvyQCLz+dme6/c3iUQMkrq71CAka9", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4eaea492c31eb991002bc67fb509e7d4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7W/yww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7USBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "umnzvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/dQIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HJkVwLDmgL59luc8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACIQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "spFQP2qUhL6GmMM+KYNxvvrL8D4O77G++ne/v1N2JT5dP0S+Vbjfv/kyYL9c8RU/UQ6IO1U4zD+kNaa/BD6LP9bP/T882tK/JTnBPkeGwL/QEng/ErBZv3Kg4b9Kn4o/gUxyv+A1AkCLoNW/kb/6PxqquD3iJQQ/QrMtwIgIk78nUzE/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: da55c66df8e2c8ad7d0aeb79c571a1b2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lHnZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MXh4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7fOYvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ov4rvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GxJHv8e6CL83cVK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICIQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAkAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "i7GRP3k//z7SB6e9vR3fPoudQT+8Zn4/Gv9Hv5vEcj6Bnow/WKknP9qqk75hoZC/qpsMv1AmUb/UB4a/eKsWQHXvgz+L5h++1Yecv3T3CL9xpLc9Tv2fPznV8b7aUQHAbNUcwKQujb9nDns+xUFCwEowPL/3D3o/gls5wOl4vL+wvBO/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cec60e98bad3817f1c7e0e4221d36591
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DtHEww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/pqMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Gt4Mvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4lcMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8zzYPr+CVD8hWRC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACKQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "MMeLP4RcBT5hSJY91USGvlW4YT5t/T0/gFqcv4AMRD+E84M+VNH4PwzLsbwRUT0/egSlP7eSeT4ti5W/FyePPvLrvT5zfAjA4fS1vq8EI7/kDCTAxoyfvgvYwL4loAVAJDx5v+HZuL4S1FTAwuSdvn2wWb+7L0lAYU5iPpaisj/HJiHA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f81db4abbec7e98314dd473a51dad1fe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VC60ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "j/6Hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ajEIvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tMsHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vQD7OwEYlz9tyv2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACNQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "Rd8AP6Gj8jwhQSI+L+57v2xiGL6KGhu+dX3lv9KnPb9yWQM/4uGRP+NC/b5XlaY/RuPSP65Fb78Yww9AQMeZvzMZEj/PD7q/1ijfvBjqij9Mi+u/f2sKwHgqID+ievi/EuyDP8PxQD/psFi/DhIEQBi1hz+Oh3C/vYAsPsHH1D+B9C7A", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6695d2df3a578136db1f28b1f53ee6e4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qHP2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9BqLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bO4Yvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+I76vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5zVWPnldR7/caAC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICOQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAJAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "JMaeP6sAsr6hzjM9Oz2tPsbWNj+KjhU/9iZnv9QITD/tmLQ+Az8BPyt6qL8aGFC/D7Q/v8r0nr9Xwoa/Q/CLP8T6B8Dsm5+/85u+v6faNL5UAPK+KPJrP/3mzT8vIa0/8lobQEld1b5RTYs+w4QvwL58pb2rlzK/t/FAwGTUWr+qeKe/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 86c65f96845746dc4665d979e3ff5724
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LnDyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bCGIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LufSvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Qc8mvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kpGDvxbeJT63RaE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACQQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "GteFP0KPALwwT8I9WqLXvc3ls73ePoo/AC44Pw4kVr81zIG/f+Sgv0NLyT4UvkU/Zi+UvmiHKr9IbN6/xo68v6YVZD/uf/u+VJaHv1xo6T65MdK/uLcKwJ/83D+Hzgi/VBwVPuNLJ7+XwQ9AzDUtv9BzKr8G0DBAMm8FQMDVDz9WlYo+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d021e2c48f8e3f358329d3c76edae57e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uHDVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eO59vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DJW/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8iMevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LGXZvd5URD7MfzA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICQQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "vi0CP3OCOL7W/yQ9jsRsvuV91b6TjXu/EK/Iv2so/r4wfBy/2Pbfvd7BF70nbqU/d0v9P1hatjxVCLK94l2jv23TTz/iQZk/NEH4Po2BtD7aBAFAUo0AwICNDz8jRX0+bzwJwBUc576U17i/l2UcQCXt7T7eylI/V1EoQJNTjL7B4Ia/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9004d2fcae384939df57af6c5e8efc13
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OL/Gww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "x559vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wCbrvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZwsIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ARibv3WTGL0fv5c+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACRQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "6Jk6P8KVO76FPw+89CO2viNIX7+EF0w/lX1HPLd/cz9zfEm/0o20v927WD+7Gce+PzAHPyTx3T8k2cW/yGDNv3UPKL4EgPk+utgKwLb4wT/JMUa/Dr5pvqhS7r/u58o/SKPyPy988L43hua8fjkjwCXh5r5EcW4/UxlCP7V8CcC0bM0/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 664446077961fb4aac2aff99e6aafa09
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0djEww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "M8WMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jWLZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "INksvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "rvUFvnkjKz+uniM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICRQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "qZSMPpmnxr768lQ9Yib0vhFLBz0F1ne/FROOvwQ9lz/3Tz2/E+WFv3+L8z8zycQ+0KPXPgpQdD4WiZw/ToyHvo9xsD988Kk/njnev0vpyD90CMW/Ih42vlKB9j9Y2BBAFpSFP4NI178OK7O985zQP9zT9r+i9lE/iTCDP5SyF8C2L4m/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6dbf4ce7537acd9ae6d1065c03de3765
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VmjXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WDh5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GTuBvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zJo4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oS27P+vF0D4iT3o/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACTQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "b8+RP+P4nr7EbRe9uPPjPncW+D6/GUE/1/ZbvxIHEj/UAek+Q3cEP3M7fr+6g4y/HLIcQKwZ7r7pNDQ+bOUrQJYLoT2z/XA/LWTAv/jVRL2SbQi/M1nOvy9Lrj+IvZw/EfpGv6s0WL/7cKi/RCGEv2GE3z8GgvI/3DyJP2wn079Z1+C/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4b82dc83f0b58ed2a19de4e5033b61ee
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ovXdww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/OKSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YwwMvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lbkZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zSPDv+XtKL4uxVU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACVQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "qbgBP1iEpj1pOKC9eLxBvzEtaL6KSC+/G0UyP3v2lT7gDaI/cSqavkygWj56zwFA0rHnvxkFmL4A9WU+PghNv12QzL6Sefe/+aPGv8ipsr0ZHbs/is0WwLL4C75xKgxAArTPPzH/Oj5CalW/YLXgvx0vHL+AGg7AcvYlQLndjD6ccrq/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e5a5589630d5476d3e74e6a2d69c9869
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GGDXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YACBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NBDLvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pngcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "at6tP7eXxL44oeC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICXQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "HfebP9OEBb5b/My+Y4QXP9+FnL+NRiO+dDEdP2CWlz+B1Xa+FyA6v91Cir9Hu4s+Qfupv8B7Lz5pDd8+F5kfQAwZJ75gRFK/Z8oXv7x3qT/98B4+EiWbP6MwBEDGRu++JywxQMd+i79BT2K/HbEhwFRcfT6MRFU/2E46wH43L7/PlX0/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d49b08330c008f88b56e07c85f2ada45
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z9jrww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DtqLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PfLHvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/rozvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tko4PzvHAD4g72U/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACcQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "IIQ4v4u30j1qWeq9st/tvw80Sr9Psc8+Z2fnv0p0gr/xbL4/BscRv+mg7D5kxJ6/ezOYPUCO3z7m/HM/JVagP8sWjz/HzDg/0hkRQJEBKT+uVe89RfgtwPLmmL8Hk6W+BBunP7OzBkDZ2pQ/jbUEQLarH79Eoru+5045QNnYTL/5Pla/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ccfeb61d0c5bedf6fbc11a635d241e10
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ANTfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bQOHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1/YGvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AxAHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Pq5dP7h1l74mxw0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACdQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "gzprP0vw2zwl0oQ9Ag+oPttKLz7/c5o/pW2YPkMCjj6OBZm/1F+Gv2owrT6MY5A/AfJzv3nJlz7fVZ+/cR7XvxMcpTzlvGq9p4M3wEfLyb45IPu9EZoTQN7Ng75OPhI9vFBeQBWRCb/d89K850qQQEYQR7/8Spm9czlQwPN0Dr9j6k4/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9a82cc730ec96f02ba7d0a13d99c04ee
username: gastegger
key_value_pairs: {}
data:
  {"energy": "znDyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yHiMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wZHAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sKg4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bM/svQjJwr5NhC2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICgQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "YyxfP1WKyL6D5jY++LyKvvQ0xT47Pwo9ca2kvx6Jyr4OqRe/CPwFvyfu3b8bv0W/kF5pvf2mzz/eGgc/6GYZwPi7g72BY2C/Sz2NP01S2D/R43Y/alBYP/B+y78rt3G+NQ/kPyQoyz7J+kQ/G9KIvwPaIcAOAYK+cHgBv4dg/7/K8Oq/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8b8724b0926b259179af87a6326b56a6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Y9LEww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dc1kvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "C367vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cA4Hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9kAzvxbBV7/vOCW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICiQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "TYtqP5SjVT48W1g+SjqYvXivV78MLC++YN6cPuUdxT9HlLo+npRhvy/tsz+zRds9Fruxv6BpCr++Sb++EMkFQHIVWzx+478+HOPzPvk0B8CfSXq+P2rzv/OzTD8GBGK+xeUIwAMuor/wNCe/BRy+P5EUBsAWFKK+HTcZPQaHMMDr4WG/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8fe323c9f9ba6a874a8187b79b2a36b9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+mXXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HXWEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "IEKcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ksk6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nBY8v/g2tT/1hMU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICjQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "/FBiP4gGWj3Z9om+Ud+QvgijXT8A6Tw+YpoqP1Hdor82KrO+bosVvxIb7r+uL9G8b1X6P+3rCD+JkAy/Kf2+vxbfgr8k5bM+t6u3v0Z+rD6rVfg+CE00vZp1C0AYF4M+fRkcwP6Ev7+jCxg/1sRfPwK1IECQL947sLNEv3fwM0DELQ0/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a0d8012d27e9fa09d54e06793fbde668
username: gastegger
key_value_pairs: {}
data:
  {"energy": "El34ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "O6qKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WDofvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PDTsvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "baiQv9V46T5S1WS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICkQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "KFpBP94En75RBhA+kJCTvesgHz/y+H4/kwSdvwA5hz/GyTU/kCgAP+M4fD8F4wdA+M3nv3Y4Jj8sPwC/ye6gv1H3Mb67zLS/LxUzwG7aiD+tKCm/aKqVPSnmPL+ZRZi/+Tjjv3R74b6s3RTA9xknP208vr/VH/m/DN/sP6VLL79Mf+8+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e78d3948e0b61115eff0dd0a10384bbb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sGzyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "z/mRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "z04Wvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "z6QNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "swxRv23F3j6DwIo9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAClQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "IIVhP0qpj76IQg09L85Xvqm+jL8Rjhy/nYG+v9/bEr+6oxq/atfnv58JPz9MdLW9PsTjPO1UDsDe15C//BZzv/MDtj/FPeg+hkDSPvFLgj+8QSU/2f9Sv3jHKMDfW8K/0EqZP1qh3z8y+Kg/EzEzP3M4JUCLt9I/DNsBQJC4Ib9O4nU9", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ff5a9ccabdb7e840ff46565ebf5e8d74
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XnTyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "44yJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LT8Qvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mdoCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oKZ2PnE9sj8xlMM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICmQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "c4k6P8YNIb0ymXI+4paYvs9jUT8cb5s9cq0VP5Edsb8Zoc+9Xv26v2q89j7OTce+TPQ2v3WG27/EYBy/TVbRv4FhXL8t6zy/xOLNP53QnT6byxs/jN9VvVHiD0D7t+8+Lya7PzZqDMC8yaE8CiaCP74aJkCMS2c/eWpqv43AOkDMDqU+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e1d5de3bb7da09ad7ed2d32d781489ae
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lXDyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pfd9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nwAqvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DO6nvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "byoyP5n11j9dUK+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICpQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "eDxIPzfPqj5MFy4+DbsVvrgBTD+YqWq//biqv93hkD5Y8Iu/DuFiPjXVWr8xYXM//FCSv+jtmb+scDo/tHHpv0WFJb/cTDm+TvOjPr5W4j8ZY9q/W41nP+43vL/PJN0/0j6fP0GiCEDsBcW/d97vPy9lUT9hUa8+f0qAvhYzCECiEh3A", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5514690e726754580c2a0dbbc7d164e5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jFLZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uiyWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ca4Bvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "A6sqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "idJevbcoszyfdiA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACqQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "MchGP8oJ5L2OjDe9biP8vmRSaL42rEI/y1i+vyr15j6Xbxo/hmbtvgrOnr8FWek/a6WYP3Znjb9VAm6+oxPCPxrsxz73Uxg/9ZY7PyrcJz+VybC/7Hqgvldmuj8if8y/ujvRPxuzCT+cYwrAdgl2v2Sdrj8AWV+/qjrSvlUUA8CLlSlA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 901244adf590ff290effd883262d1d81
username: gastegger
key_value_pairs: {}
data:
  {"energy": "o23yww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YK+Qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VpoEvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "asQcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2v41vtLGCT8l6Yq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICtQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "Cb2SP0Mwhj7hc0O99+I5Pl5nGD2BlZE/sqObv6pgAD/Q3Vo/xSwPP9ykOT4j86i/cZwTP03jp77PiA1A1R0TQJQqET9lOds9E5rlvkZhN7+WPdm/q9fFv2efO79KQIy/znT1v108Uz5SCyy+qY/Sv3kDmj/448g/mxmhP7rfWD5NfQPA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d5723ce33bfa835be646209a16ae3928
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CHgFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "X3p7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LdCuvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SBIkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4juhP0md8L5EbrK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACwQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAkAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "UyhpP+XXd75V6Qo98CWZPtSV1jwYlpM/0TOiPmBAR767EZi/vkeGv5BHOD5tzJO/CDaRvy450j43GZM/fI0LQHU6Er/MKTg+y6VrPzUr777yRhjA8KXrP+aVNb8+fA7Ab2Ddv6D97D6fmp29JefJv3CRcz48wwbAFf7Lv3DMID+GTw5A", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4deb5eea5ba3426cf23f92e5f3343a3d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "e0rZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "G9mFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3nPgvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "R3gbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8BY4P6QZuz5YqDU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICwQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "xVYrP/3IEj2KBsE9zqYwvyLxZj6GVCw/M16pvzjIH7+7wqA/Z1Snv+65zj+mCvQ+dvg0vwnJIkBidSq6oY4WwFLf1j81f1c/vPiiPzwPbz8M6028OyqAP0k9ib/9FGC/ULiqP3Kco7/g2NE+hw0SQKNurb81skI/4hWEP+bcvb+J3P6/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 41c54f48c823d5be3d7b94e786158520
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CNrfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QwCAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uarMvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KqsZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "002eP4z4Xr9ZF2e/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICxQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "ypoeP/3PN71iVvM9cl03v5DF9T4cQ/k+ZC9JP+d0Tb9OqG+/lTrfP+htiz70B2s/04qkvnKShr9zldC/as3Iv9OMIb/P7bG/2l0rQIwpED8mPM8/wfFfvlb30L+BrxzACR9gQJWSUT8Fcg9AbKLkvxFZ2T37ecK+zU9sv8cLlz/Yh7k/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ab48efdc548167b77e0c3eff383f5904
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fv0QxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WB6cvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jIIAvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JLo3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pz/7vQQEs73mloq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC3Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "XvaYPxooAT35XaU+T0bFPSqgCj94nqM/LqiUv4gwFD7ISIc/R6q0v6sJn78MNYc+NzSKv9QTm7+1Y2C/c4ZcPzQekT07h4W/YJDQvg4mub1rJMC/SCYTQP5kgb4jjiM/Mhp3v99v9z7VSh3AOPjGPrcfqT9Z0whAttfOvgRToD8+njTA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7f50770123f3f7d6988376da2379eda7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sXvVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eQd4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gUKdvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OGYpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DaYBwEtZFMDlCp++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIC4Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "Md/RPw6ZFj7+ELa+ddt8P3DTfr/p+y6/IkCLP+JMkj+kjmg+rWGZvuO4ib8Hmsq+viaOvhJ5jz9IRhE/wUV0v42lgL0mjVs+r934vyzFxr0ke9k++R96v6QSDMDZvD+/sGBcv8dyAUAXvY4/11zYvkgRPcC2e4y/kebwv09RGcBCJbm+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c45619731789f55fc65b3b908be01b93
username: gastegger
key_value_pairs: {}
data:
  {"energy": "82fXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AHOFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/1iovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gLk2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "rByuv9LGqT9+jPm9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC5Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "K44vP0mytb5ZJbg+hjSKvnvsnb7vCxC/d43WPunMOj8uWI4/m7CHv1EMRT9yYrC+mdQEv/aTnb9+Vte/n48iv/DIuj81yTs/zZTuvzpiiz8spFy/q8uVP5G+hT/p0ApAWjwVPjEADcDc2fe/4Zyzvwhgcr+jBhPACHtPPxS17D+0/CNA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a4d8eb1f19ea8f735a34efcc8b34e3c3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "bmnXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ijh+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MzWJvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iJ05vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "X7VavwnhET4Qryu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC6Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "KnVmP1oOeL6gBYc+XchzPQI1h79ySIA/AObCPfn2JT9THBy/O4Klv9TCi78fwns/vWiZvzqwIz9nsCa/sg4AP/3J2r/yitE/Z5tMP/ZwvT+wQ6+/qUHsv/kOgL7XaSk+N2c7wHCVgb6WAAE+PBoHQF+Yjr7OP7A+Pn0oPrz1/z+cWfG/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2683a0ffd3986d75ee2b8caa94523267
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/GL0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dsCVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DVIQvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3y4bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6DDfvozbML/xgBI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIC7Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "wwOPP6Ueir25sk+9lFnHPmTHe79GyzM//A21PiAzjT/ZsyW/eBaGvwVscj/k21m/FiNoP6zfB0C63HK/ON4WQFwnQr5CkFS+hGwtQGyFg7+2loU+QYnQv3NEeLv5R3C+drd5v2Acfb86ADA/XwItwHMWGr4VCbK+FsrLvw1h4b8za64/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c24a92b25dd7404fbb9b9a5d7b184387
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z2X0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Tz2Kvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hjgWvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MIT8vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "j41gP4QNhz+rJrg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIC8Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "eQx5P8GDMr459do9FJ7APY+RYT8bk04+3Ex9Pt3ap78deHy+RgaUvx8UJT9hxim9hZObvxU2Pr/H7rK+lWP7P0rV1b3CVpE+JwMMwF9rsL9DwyK/MMImP6wxG8B9Hdi+OE4cPyboDkDPwRM/DaQjvvtgQUCbkx8/g/zjPzJdGkBXXk4/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cd07bb54adf873ec6de00d592f5b9573
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6dDEww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VpmJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+pfkvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "r+Ygvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uqD+PdXKfL8fEVM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC9Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "9RT3Po25dz2XIBe+WpsavjINnj8lkIS+z78hvpx9ir97aJ0+IGr2P5fHgD2oywu/z8q+v1ufZ7/vjCE/pqm2v8Nxqj802Iw9A+YSQCgdhj8bh2O/QnMnQMGxbL+jsP2+hnYGwGT2jz5digI/okYHwFdS27866n8/rz68PmmZAcDo9sg+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4468088de97f3a7a245376ddbe8d473b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xOzfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9Q6Xvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6DL1vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "doQzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/YcUvrosZr7dmJ4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADBQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "uDtUPys4q7xwtwa+kz0OvmHPAr8tbSw/PAazvydJXL7cywk/X97Tv39iJT9NPwG/oBkJPz9rXz+TlJq/bmlQv7m0lj9xQqu/p/S2P1B9pD9AIfO/w4/mP9sei762WVU6VzyPPinEs79K5tw/2zAtwJ43Zj8esyC/0NEnP8VPB8B2piNA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 671560bbe6f61ed6fd03c03e3b619392
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0x60ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hCxbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "y7kEvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cuWsvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2XxkP2agor8EBHO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADCQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "3vdaP0Jrjj4QSEY8eKk3vcJIL7+8DaM+OW+mv2Akwr01qCY/mcumvybjkD+WTqg9zim1PTfFuz897be+bGdyPt1AA8AXoC8+fP3mPwNV9T3pXJi+LkkBwM2V9z9cW0o+4Ub3Pu2YTsC5D509Q/IwP/qPiMALCoG8I0IaP0iPH0AInzW/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1875a6992b908c92b1c35091e30a2fa7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DPjdww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PsuTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VTT2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Unwsvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SDMWv9rh774OLQ7A", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDCQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "ZCIvP5ChTjvKf5+8kWAcvwq+tz3Bdew+XVCEP1l5gr70lKO/2UpJu0yW275u3wPAXd3EP3HKYz5Nl30/BHPVv4cuur0Rp7S+73Otv3ussb6en8y/VylHP7fg3D7tKwJAh58JvxEPuD59xeA/JphiPmCBJL/WVkbAidkKwA11AL/eOxPA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 97c8b2e1135daaf93f0e634b2c87d3ec
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZvXdww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7q+Ovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cVoAvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "awUdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SiSlv17Xj77pYP09", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADFQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "hmIjP/F7vj3kfaA9GIsav+z4kj2cYQ6/TChZP65Sk75dAa0/2X3NP+aCCj+QlDy/tLFAvnuaML964v0/k9q1v7NVNr+okq0/cjDXvxQutb7cQAM+zZuBP+zKTj/hlfC/9JCgvmL9Cj+oN+m/z7kOwH7miL8Yuf0/uzl4v3avMj81XCrA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 18651c7e0c19ad354b474f3cc3a33b26
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GHXyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fLSQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "K6QMvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zcQUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IeoWvygnWj2ppE69", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDGQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "RuPcPjJQF71tihk+FTRevigOIj1F96o/HR69v4VsHT6mY6o/yeVQvmkoRDoo8JC/LnPLv8pAAj7qjom/2H7vP+2pKL6m7mw+zvIHwE4yRj44RMA9ZQ9NwOsElj7CSDE+TiDgPlq2lb3heQnA80kTQJdGX77ckEa/IGsdQNLvTr7iI6I/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cc5758550b177f9a5178bf7003167b50
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MWzXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LdKEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iL6bvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FsU7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WMUbPw7z7T/KbMA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADHQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "XLiHPzYiCz/Fz5A+M+gBvnINnT+i2hI+t3c4P3HkSr+1dAY9T6aYv3AoDz+bNiG+2xHvvOTQIkAElK8+2SpGv2xdQ7/RboO+NuBaPzFzPUA/SBM/4DfBP74j17+094Y9UclavywgR0A/y4Q+NjG/v43A4r9wTQm/yPJnv4H1JsC5JQm/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 317b2ca39c548b3ae7e48e54ebf3e585
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xlrXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fnKEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "liCjvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sVQ3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lPutPtuK/T3OcAO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDHQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "lBJuP2IpWD5vFLu+/OkyvMkXX7/D+4u92+WXv2HyMb9ha9w+MRvEPpajB8DF7aq+uSGuvoXALcA1iLC9XiS0PodEwD8zBpO8K4YFQP5Nsby+xVy/3CsmQM3yWj9Xs3+/DZNRv6FC2D8sKfU+tOzNv/DnGT/QIjY/xTVuP/gkGkCPDze+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5111e7d4f283a6dd8074b70c03c120d6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2mPXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jKF8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bCGovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1pAovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3UEsv5qUIr+la/a+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDIQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "e5yrPjPFHz5QFxe+lNkrv6nRH73upXU/Has9vXrOD79D+6S/d8muPxZFZj9KkBI9pyYLQCPYdz+pmIi/grI4QNRQxj/g5UW/mJeTv6/9kb+2WXS/wMTLv3kmZb8OT6g+rvE8v/KMwz6FewVARXncv5455L92986/MCUbwClvoL/Qc0Q/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 56569e1278525136feb31707475783c6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pG3Vww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jSiNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "igYJvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kEoRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tkrAPgN9Cj+bVZ8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADLQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "bFbDPqGBkj4uAio+dOxpv0zewj6wIvW9AubGv0EqPL8GANe+AseDP2jOYb/0B4o+NfyQPzNDxz/wBeU+Fg4EQPRFxT8w+Qi+6+Jnv7SC8L8fj+m+Ldy3Pw23wj+kEcE/DI7QPttyLUDAAg8+Wbu7PgrM+r/tTom9ryIIvzrWHkA8Rfw9", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 87486396d90997ebbb7e1c1aaaf22e2f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HEQgxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "q0GAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GhWYvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yXg0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MCpJPraELL+H/oW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADMQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACQAAAAAAAAAJAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "yrVZPzkjtL62Wf+9v7Y/PdcvPb/IVJ+/TIOev7QZsb7wnqW/vtMZP/glvb/Z5wzAn97kv04Rzj51aaK+4naZPsRjzT5v71s/CWuLv8v2VD/zilA/j/bTv7l8vz8DZdE/Q8L1v/AvF7+PLAbAVK6AP8EFSD8GwvQ/JxYHQOoDPr+9S6y9", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d137b528e2d7bec48c876d52173443ad
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1S6yww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H01Vvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3nYBvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gqynvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bASev1kXtz3Sbyc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDNQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "4NU5P5woGz0vMIm9UsSsvgDEwb4Bgpy/OigEPk3CqT4+RI4/d+qavw7S/D3AhEA/pXkDQP4cijxbv/y+FghMQB1NirzYIGm/ow6GQDinQL1cN6K/Xra4v3bbob4afjW/70EUwI4RcT7neLg/hzwSwLpPBD8zRRpA1BdNwNyWGj0e0X8/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 72defca67d6d5940a3d8db648c101acc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JLzGww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ns6Fvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qroXvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JMXnvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/AA8v6CJcD/uPQw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDRQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "wGvmPdZNtr7KRJW9QPlGv0KgZb/Fuiw/FTLHvwi9PT4SKqA//nWUv4zXsz8EL14/LygXwJwTtr2PhPU/rzEpvMLZlj9t0VG9eirHv0muF0BxEpI//JSRP41ji7/Evl2/35PnPzBh2b5O3Li/dR4uP2OT+z8Ojia/Mu6eP3qeEsArrWO/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eb882e50aa9eafa3e6a575952d02e3a3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JtzCww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ysV4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wmzivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aY8Hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/1vJvXrkT79FR/I+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADTQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "YtOHP+Fw/r7Sw5g9CaOXPTrjib+/sH0/IdbuPqcsmr6wDJ2/wwITQFtqvL7xgqI+S/bsvkhF/D4GU7a/9yeQv4t+9L6lI48/DICsPmSs+r/zo8g/9U60v86PTz/WGCk/RM4yQDciCLxCdwC/TJPxvw2EXL+a4uQ/+Tx9vyAMqj85KM++", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ea6b4fa870e67f843d39499c08133859
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gWfXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7IqBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VRibvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rok1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kfK7P/2fwzs7wgk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDTQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "7g2JP+TPxj69SYi90JfzPvBEIb9VzhM/76z6PoJpoD8sxFq/8ZFqv/+lUb9m1dg+0+sYQBcg8D5c+0Q+WWI2QFDpkb7d+Cs/YX87QHX5kD+m2au+4r9av3AckD9uv4S/a5XBv7jzMj6WgOe+DRS3vyCk3b/V/n8/JSklwDNN2z1r4x+/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1524960a6740250377be4b78f200c95a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fNTEww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JVqCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zJgSvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/DbkvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KCyhPlrw0j4Yz5A+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADVQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "jdC0P3bHtz1LIJq9iNRGP9mmcD+WhSM/q7EqP+PrZ79/e0K/UtgzvwoGbz8440g/6iQ9vxm0gL8UUzG/Ymevv6iYHL5dobs8pgqnv5wP3z/4V7s/4smpP9aJ2z+2UpY/zxSjP5lm4r+1hb2/80cdwJg5Vr7Svbk9/LwRQN0pyb91Ure/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8becbd1c8457de7fcf8fca9a903a4ed5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "loIGxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9mByvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "J92WvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YvImvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "J9rNvxCvaz0LQS4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDWQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACQAAAAAAAAAJAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "5P57P1c8mj3ZxsG9NhjrPl/xi7+/shO+mJ1hvwRemb926X28S2mGPtjprD+dwb09R8rYv/AqBb6HViY+wy2Nv5czjj/LMVg+AvTVvxLY9z+vxK8+PVJBPxV9HUAkMRA++RExwFNUR77VjIg+TS6wv2SFG8Ck3pW9XJMSQJX4Qj7J/V++", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d3e53b8b2438c33edecd8ddc6fd67697
username: gastegger
key_value_pairs: {}
data:
  {"energy": "h7/Gww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tCKCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "is3nvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "o14Qvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "f96cv+1Hir6R7Qy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDXQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "eAYzP3WijD65JLM9OSxuvhBO8z6gyYu/nzRRvfiQGL8smIk/e0jvP/7oOz+RZ20+2Q2wv9EkXb/WrN4+HQu9v363ib43DEW/CdMUwHjEmb5vn7i//CYIwLYxvL/3vGw/3DsHQMQGpT9ekhm/Vc6dPN1djz8GWwXAsT+kPs5Zf7/9kwlA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 21ea11f2bc0960a3b851f39c333dcbd8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qEnZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5pOFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xLMUvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EOjsvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9E/wvTi+or9WZb++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDYQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "vN8uP+NvXT0WURG/JDQMvxQHFz8foEM+Q4YDP7Olob+JtqS/Jgqmv15AsT+D2aC+rSAEv2lBwr/19si/arTZP/yPMz/N5w6/zx4+v8dHvD1nttI/r6jDP1fA/7/d772/ksmVPUHuC7+wEANAnhyiP/JKN8DCG/u/kp/cvwkDvT7LyRFA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 66319764b9185e8bb4bd39ed8a7b50ec
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Sejfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jgaQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zTvuvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Nu8ovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "G0eIvwMmML7MKDa+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADZQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "M1huP96Rrb0/Kiw9gu6FPvp1ib8qsvq+G3SHv6Y0ar8T7ge/Pd/kvzrOPz5P+ou9M8/Jv5ld178ycXG/zrXKPlQjij/qlQw/h+wWQJc9Z75jpM49opBjv35fmj96v/0+tpFgQMXKp76VQR0+FMQ/wGNDeT5CnhW+Q++svw8NB0ABpmI/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 69b4a5c2969fa813325f0f1a996a4f55
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ooMExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Br2Hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qg2uvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "N3M4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aw6QPmd+jT/o2aA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADaQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAJAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "p2l+P7YfEz08rvu9j3tEPvHsPj+sClk/luSJvw27Hz+/GGo/NY/OvwtsV74Z2J08ry5RP5idxz+eK9o/lXXsPhXNQ79qsnq/sC9rv1jOcr8dT3e/8YknwM7bob4urHg9zB/Ev0zM1b+qetu/pEkUQOMwXz7ANAO+cpwjQBjIVz876RE/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 728868be121d5fd7b8dc3f23612e46f5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gYIGxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Lst3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DB6GvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KLw0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kzqtv6CJ4L4Fbq0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDaQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAkAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "C2+NPyBglbyURQ6/nTMHP4TIhr9QeYS/B3I/vxFDr7/SZyS/9auwvwlZE79hRIE+KatEv+YYBz8l2EM/NtsmwKRXSL8SAzQ/Ml4IP/tybT838tc+p4ihvz+5jT9VX7c/LmWHPwLh9D8qKGQ/vnEVQOtDjD73hHG/6AScvzXdD8BTf4e/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 29601f011db87655da3e6ae397d1d9bc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qODfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fhyNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cegNvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "i1AMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vMsFvs6qT72AZT0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADbQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "KZ9XP5k1Fjw82Hc9bnbRveM2BT3chmW/7k23vwFaXj2lPfa+o2MEPzot5r1cja4/sBFPv996pL7W4d4/QZagP3Yj+r0GuAlAqO3cv93Hib7cl18/d6gLQLDcxD36iNi+8A4TwJ0CqT4/6ay/70pOwLk/hz7Rs22/YBBSQO6PMD7fIEa/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c5aadd0f1a4fd6be58c4efebe3c68830
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qc7Eww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OiOCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3xujvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hLgyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oYTpvull1D556S6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDbQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "4nqNP3uTnb6I/6i9b0wBP7hjDz3yVJQ/XBtov2C6+j4lVoc/xlZaP1+lBj6xya+/b06UPz4NlbyKKAtA7r2jvn8Jqz15Q/G/N2AGQI725r6GlSk9G5q5vxlH4766w5e/VIa4vztdOz00RWG9/sypv5RBlj9SW+M/GPPmvuJoyD4DjzrA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2daa6587de082631350e54fca3a387c6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Q/vdww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ppqJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RPzjvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Kjchvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aeOov65khz7fw/0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDcQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "3mA4PzpKxTyKgrG+w9q9u0iso77+17W/m+WLPnHocT5H4mE/I9iGvy13jj090Xk/2uoIQMmUMz4QXxK/DDeov39N7L5p5p2/Vzvuv0Fmjb5Ja4W96ppRQPcAlz52pz+/GMnSv2EZfz6AYQpARGiMvxtJAz+CjT1AryEpwJcgBz4zTQ9A", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7774a0bd9946b7443e7e9e757229d5f0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "y9TEww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nFKGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1EXqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ToIXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wjT8vk5F2j9YxTs+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDdQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "HwW0P0tSgT5MZho+BRdMPx7goT8L3SQ/a2YiP9Unab8tGs+9a8+KvkznP7+B3JS/xQAovyE8sD8yZVc/sIOevzcImj25sYG/yqVSPwXE+L9sPvU+ZIayPx6HCEBkZm4/u3HIv/hPWz9AHr09EO1+vw99AUCGodM/cnr6v/klMj7qu+m/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2e92507fd1cb891151c6631708de20f2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UWP0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kBaXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xy4Rvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Wf4cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pmH4O/N2RD4BGI++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADeQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "+sNSP8tCoj3Re56+mVBHPRUbPz9qEIu/S4eNPtxlE79cS0M/tkITQIL2wLz95wK/O0kpQPlJCT/JNrO/g2NBQH4EJr+j52A+gnyLv9w4mr6s9TA/aIGev4QnFD89Nwq/WVbyv3EfNb99trs/AXATwMACij+Cw4C/zQpGwOKNTD/cZtW+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1d601c4e231ae5bbeffe6d40ba0ae7fb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zVbXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "o1hOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "02xevQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "br0Wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/aTavIy52z6bVTc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADgQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "C3gPP8k07T4mUxG908Eov4a7Tb7VE6O+OBTJv4RyKD5U6RQ/tlJ+vzMPjz/1zLk/x4bSvgO9ib92Jqa/oN+OP47vlr8o+aS/zt3FP/dfpL7rNQS/g9vWPvlDgD/Rw6k/OQlfPxiG/j+ObLc/l38nwHigL70IYDQ/gLhVP14nmD7dLwRA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ce3f753a5b29b96ec7142a2e3d59cf5e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "R+Tfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2EePvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5QvavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vokxvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "F0igv22tgz/HaGW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADiQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "BkFSPwGqjbtbQZA+FVjCPJDZZD9Z4sy+WKCiv8Gp3T5VYSG//7HFPmoknL8gNTA/entZvzITyb/5Dts+kNALQHqqoT76pBk/VspRQClAGz8441Y/u+TWv2vURL8gu2G+vJ0JwDremD9bjaO/H6w+wI2AMT+jbKq/Rii7Plbh7j+pXDq/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 50092329072bf3205f486a6401b34b94
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6FzXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2T+Pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7KbUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PCw0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OX8rvxhgPz6aQo+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDiQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "dwtjP7wO+T3jveE+DwuPvGOSDj/Ps60/TUC4v7vorTwkPp8/DdXxv1iLHb44kQ4+ulqRv+ERBz4q7Iq/OB2uPpMWLL7S1G+/nv4GQGKgLD3ODEI/AJ2gvxlfmj9lH6S/RaiDPy6YE78dXeu/2f4oQDxEcb7T2pG9MeLJv5AR177w/vS/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 387b0c924a032a37b35f7bf987652edf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gVrXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tr+Dvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "flXOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rVQgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Q5B7P3K/Y774Nj0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDjQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "VCjcPt2YpD3SBxA9OdhmvzLCIj8mmY++l8UfPo6kp7/UWrY+QnKMvxH0yr/SSoc+88RcP0a9BMDN5iQ/Wezkv+9o1r5Ml/+91X/CP+cVQj8+v047GbQmQNTFjrzlxa8+Oeicv4Mi5z+ugB+/R/cOwO0W8D8lsUW/w/lVQDSUGT/z9I8+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fc90cbc39c1694b9df4685c4c4f33d69
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CmzVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2v5lvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ga2DvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Tigkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kGv7P5tVg79bzrG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADkQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "MSv9PsJ+zDxWMH++AnQ3vyjQGL9ImA2/lOfrPsornT9ejOo+iDnTPzhEvr7lNVq/+YziP/fUvL9WO86/Mj4jQCoQUj76hyy/D/xwP51r/r9Hbu+/xWnYvzOB1L7MWkU+ixLzvtjouj9eqpo/8my2v6DLmj7wdrE/MQooQEOy1r9yEQbA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a35449dc0d09ee9c514980e7aafe3e61
username: gastegger
key_value_pairs: {}
data:
  {"energy": "C87fww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kiOFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "chb2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6zsPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yM1Avxzr4rxSLCe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDmQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "eaMXPygGYT2TiwS+AxYoPOAxQr8iM3a/MvavvyS4P79YF26/j94BwIUiqb6akfs9gtvmv93Qk79h69+/WuzUvycYFj4ftKE/+KmHPTiEoT9Unts+SYoFQOhbdLwQGei5kHuEv6RUtz8vGXg/V4EgQO84Vz9rSRA/NZowQPpDab8sVd++", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dc8f1722954b63b99c62feb47ef462b2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G2f0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2LaQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "56gTvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ycQNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xuHsPmEaBr93Sk+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADnQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "77OdP69fc77IPuC9/pMOP+AA3T5Sgmc/5Ph6v12MCj8uPjY/YWjMv1N5xbxAgOK+aTPRv4lUjT9SicU/BJiPP2NmZD/kG+4/GQhbv5KuHL+dAqa/bkcjP/MXSb9pf52/Jfumvw6ohr9SBQzASJOgP7lBrr9COQbAVE0PQIbAp77iz5e8", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ad8f38c0e63fe39df40370b92546aefb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jYoFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3Eh5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0cyzvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dGIfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ofhpv37GRT/dzZO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDpQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "wZZxP5XSir2N8hM8bFoaPnLbhz+Q2dm+caLiPoW1kr/ulOY+fsNyv/Rtor9xzQU/ITfUv6T8+72vPr49OSSQv2bYgT/SN8G+REIQQJHthT31hZC9yKQqwMZbBr6xT+A9v3a9vw/4FcDeH3M/FugfwL2yEsDOO3I/RcE+P7vGCUDqBGC/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eaa36d1ed290741fbf8b3930d70bef87
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1Pbdww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LueKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DB/xvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1j4dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0QWVvu/Jwz2XVu+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDrQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "yvEPP7dHAz4yAgQ+2rUIv3FKcL0hhz6/QWbQPowECr2inLc/20FIvxPXv77Wk/Q/W/frP53S+z4susi+mZXnv8iUDr/SIow/Px01QE+1Rz8uFW2/nZjbv2dl0b5dw1K+T3DwvvuWwT3XsQTAhPXIPmCRqT4dRSLAzkymvwCGnb2bnCfA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bc2af20fd0170b0c397db46f24fdec9e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "g9rCww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "L25jvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7BSrvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ueMNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Y0WdPyzUEr/rVrc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADuQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "rY2NP0Rzqr4eUMw9eY2aPXDBt79Oe5S9ZE5IP6VVRj+SuPW+vasPQKsWB7+Ad0c/G0gkQLR+vL8kB2k/SYM6QEEwZD58PVg/hqfGvpnqlj8H6Ia/eivEvze7gj/SI/y+69nTvzuB4z0Vwwo/cgVrv7EMdL/k0Qo/pFEdwMrMcj6R3KA/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1da4b73aa94f01a676125fa1c9f7ec2c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fffdww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uTePvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vqLbvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "E54wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jIRGP7L04b4s8UA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDvQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "/zhDP0hOSz6u7V+808NovqjFTz9xXQ+/UPYcP9Nzgb8BZR0/m1snv9Ypq780u48/aYzRvy9qSL8cQhs/k6i4v+y77D07WAG/p2kFQNXvRT//M/M6B2KuP90wtL+3BpU/xX5KQE/Blz9pRiY9ywQawJP+cz48pai/ZrUJwKvRZj8ZTAPA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6e18425f0b2966e41641bd7d097aebf6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "A8nEww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LlZ0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RWT4vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "F0jwvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+N8qvvMCPD8yyZA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADwQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "V+RQP6kn7z1k5bQ+zA1BPtYRnz+hPFo/8QKcv39lkz91ZVo/SWQLPTgjU79JHxi/Af8AQIikKL7v2iA/cBEbQNjiAj+oPqM/lCfOv0N/ED9LfIm+2MuKv5GGBb5fBJS/nZHev3WlxT83j9o/xLzQPupk/b8m0mu/EPKmP92hC8B55vC+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bd4a18066c01522060d6307075d37b9b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3EX2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jxeCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fCkMvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RAvwvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "A7Kzvw39Qz9QjVe+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADxQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "18xsP6uujr5BvJA8ucNivVIl5b78zZa/mm2DPtK5OT/V9X8/8E2YvyMMTj9HExc/LYgBQGmVPr/Ii+E9di+wv0NM1j0uKja/b7thPqQgYb8n2BDA+1bcv6ZoBr9TiAc/6CntvwiZyz/rtm8/Uv8LwE6drD6GXbK/wQhQP5EvrD+Pnu4/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6e3d820499a35b7d40cb2df5953849f8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3/H6ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+BiUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3Zgevg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "E5kJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "H7qkP4enF75Mpho/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDxQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "LcxMPoiew7kumE0+4gCLv3fa0T6t6GI/kIsRwPtY+D6on9E8PIP6PWSvgL5vpY2/eGdQwDHfET9pSRS/GIGmP9k1pb3VLnE/bgwXQItT5r4j/HA+Wb2Sv1ZXKT8+5ANAHTQXQGpzOL9wLIq/iiKdP5ZkHb9Wxd6/XgpUQPwIDL/mQz8/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ae62404a4ee36ee57ea8e5fe0f1e2e3a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OL3Gww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "U1qPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "I/cEvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "g70Zvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CTh8vwCRgj9SLLe8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADzQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "sxAWP02W1D6kn/+9SpUHvzT5Cb8mLgw+L+fcPmbL3j8sPZS+/A7yPxWEN77Grki+h+U8QHU+I7+oMYO+aiwMv0d4DEBc1HK+P5j/v4gFqL2yd3s+2CGlP4HzF0BDqPS+tdusvikz3b99uY0+EHMawO9ChT9/0Qo+2oopwLTRdL+dHOQ+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e0fe82091c5d3e9e6619547526f9c423
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rm/yww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nGqFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Dtglvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VPrJvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ti0iPyqRgL8AUpu7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AID1Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "PTJdPytFwLwcln8933tYvGR6mb8Jkn69Ukimv1d8jr9R2hu+wBMSP1i4GMCWjKO9gWP3v+PqGD7Xngm+UcHdPSUEpD9gKpY9xzSpv2cNnz+2bgq9N3guP5OdFUBZTy0+G9wIviUvQ8ApkCm+CUkIQHFj6r33WBo+SC8hQOfHVT8aM2k+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fa51d697d284d4f482e7853c062a258d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4U7Zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7NyEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sTEPvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ThD1vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jZwdv0Pn1b49Cpc9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AID2Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "Us5KP3v/tz0oBWE6KoOFvlujkT/rjn++CIGCPB2Am799CIU+b1i5vwD9U78Wvw8+QqHzPqb7EsCllQA/2dv9P08KgT6uN2m7C6u/v0SHEz+vriS+B4vdvZZUF0AnAwK/dz74v3vJsb8POCm/Mtz9v2tUgr8uvok/RbRkP41xJECFvga/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d8b4bab0e287bb1a52b8c5e684d8a8ab
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AvD+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uY6Jvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6Gv2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fucXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "g26fPqSl8jw4+MK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAD4Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ccdIPX54Hjs4GW29s56Rv5GsK78o8ZS+1k0CwApDXL9pO/s+pLKcv+zemL/0nt2/DA0xP7Jtgz3d/Ve/VpHsPtsFGz+YAo8/7VwLvnSkJz/MbwpA6jnsP7eboD+Fhng/FlqzvppCg7+csCLAHGYeQLItnT8/YWG9f1cMQLD/3j8sU/M/4qEKwERL3r+s3fe/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d014451a2e942d7220c1a7305053207d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "B3Lqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DCCMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5njlvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pYMlvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "si6OP5zcb70GZA8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAARA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "9ZGzPjTXeL2+qD89LblKv3EPWr8ZpZq9tUmdPyvrC78NKyE+wpvdPuSYqj8EIOs8P1n1v2IR7L6V3mK+YA/evrmtFsDC4Pg6EjgSv49uBkDoe7y9fr/mP8fN5j90ACk+fiiRvs/wRECEXaO9gEU4QFipDUCj1oo+l4olPzQwJsDmEw4+EH6iv2MqTcC0+KO9", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ddf0f1f8f4df461d9648870c2d938298
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eNvKww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+IuBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Yk3FvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "P3Egvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6soHPnqNHb+JDEu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAARA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "nfBiPugrjz43RsM91bGWv6GQWD9M5Ig+cNHbv20NSD9gqS+/tHbdvzSvaD4+k3w/esOPv/rrCEC+TTI/uU6LPq6Dl78CXsi+lUedP0aiZz+3RqI+xF1Fv+nY4b+3eBm/P+DRP79O5L8QyRG/0HkOQDVklr8U16G/i4oLQPVO4b+skcM+tp3GPxCdM8DsFW+/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4767798dfddf481d6154f8161e2634e5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WNjjww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "k6uIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KlIBvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/AQQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tygzP55BOz8sDke+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAARA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "RoVzP6ofWz0OsBa+tt7kvkn8kr6b3yS/IXA3v/es4z7i57W/ZG+iP+P6vz9eyV4+3O7gPkzgF0BF5DQ+M3S7vw13br3F6wI/PWn+viTVyb/Jx5K/VwDmP30ETr8uAKm8G4oUQKDD1D85KwY/AYvVv6opgT8CLzs/Ndj9v2QFd78DXow/p4yCPvDaA8AUIEa/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f5a68479174455cef60af06837735e72
username: gastegger
key_value_pairs: {}
data:
  {"energy": "C23uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iQmCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5IO+vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "INEkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BvUVv/FLmT8rMKi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMABRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ADBKP5G5gb7ngZM9GRETPkswZL/7SYc/UveTv7bqMr8XFZs/PqYsPjkyHz8BnFK/6nuXv7m0Tj9wbSS/Y0jov3NEAD6OBsk+95bwv1jrzj/oRbe/ONgQQM7+/770rYu90+s2P2cZkD/PXc6/kCwuQFV9dj2oLGq/B5c6QEEEnL+VwyM/lz04wHK4eD6WvRE/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f984545a320d65101f8bd3c3a9724dda
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SF/sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ML1tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4UPpvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fzbyvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+rMtwFcJFj+4HmU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAACRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "JL2MPyHYeb0aLcA7U+ubPOmHaD91WAA/nqykv4lclz5SX+49t+kRPmnA+j+l6oo/IB6qPsc1nL+tNSm/6eqKv22gZb9qiwi/1eQZwA3tcz8uPeA+fHruv/3fxb8+Imu/4t8TwC1z6j/7zGw/alISQCEGlj3ACf09hRVXP/M/DMAHwpa/mqxUwNNWHD/L2Fw+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1cd90af882bed31b95ed8bfe0370ce08
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zoLoww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "85OCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LCrCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0BIkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jGfAvlGD3b9n8mU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMACRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "AEKBP1C1Mz28J4w+ea+7vSMKeb/seAI/fuBpP8SDDj/s04S/x8f2P+iRaD75G4Q/Ezurv+KnGb/1+vg+89nWvw0jKT+rbdc95SOPPmHDDsAMEkU/o9WePyRhG8A3tX4/GkaWv9nTuj8mYUy/V2HUvXJSjD/0ZMW//AEmwM8ahD830w8/Z/XYvvhOO8CaUXY/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 618a27021371af43e439bc1fd0d1e5ab
username: gastegger
key_value_pairs: {}
data:
  {"energy": "F9nXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "A3h7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sI2YvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KzEvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IzIMPmX8W75yv5c/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEADRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Cc0bP7SDKL29Ul68Jtgiv5yzOj4l7Ui/kTQZP96IiL7UK6Q/kVnuPwH5fLyDTy2/x5YUvzbfkr57FvE/gfLovwSI8z0ZqY49h6nkvwDO2r3zAq0/0hMzwNXUiD4SqsC+4m4Pv61H675OFThAtPI5QJ28XjyOPqO/B3Usv/2nyT59Qf6/fgh1QOQDJD0KvOa/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e70daa044792b0770a18065744b546af
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ncXZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "I8CBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ysPivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YR4Svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OgaUvyLDSr66Trs/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAERA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "WruBP6UMbr40DTS+0vycPTtlST8aJHO/n46nv7ILhD+WKOi+TU9AP/AkSr/oRZg/V0jYvpChjb/eN+M/qAEFQCdH8r5H8zK/RTASP4E6uz+/h+i/kNbYv4mq1D0Rw8k+hcrnvwRv+j+UBjG/XKfPvzk3Zr9RKIo/aGX6vmwL0b9eAi5AaLTVPx5Xib+X/Ng/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 511c8926f6cea076489bdffb1138a7f2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FAQOxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IJmOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "stUVvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jlwHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yjLEPWIVi78r2bE8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAERA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAkAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "GhozP+vXwT0kvaS6p0e2vK/tkz9X9wu8vayCPbaem7/z+lA8/u2Yv2aDtL/+iOE8j6oNQAa2XD7j9oq7XVRXPzSZEsCDpT48RkP8v4lHib5IIOA8U3YwQKElP7/qFdE8GMqzvxP3gj8X0qC7KEIKwOs7AkDA49m8kxxJwAQG4T+9LsG8wXIxQA+Foz8RGRW9", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 837f8aebde76b9bd2a30738f4e667192
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Rv0MxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5WCOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lrMHvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NA4Vvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "i1SIvj1hMb8gmEO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAFRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "YQRzP6hhcryMYrC+s4nHvklnH78rwvC9ayievy6ivz5KPRg/qgdiv/Xp4r9E19S+e1NTP+tgrz9OSoo+Ajjpvj+2wT++KUk/ki8XwDKjoT7c6Hg/RfTcP7WQD0B24J0+xkY7vNQkJcBhf4e/iiP2P0A/8r6CXGG/sOqzP0kXRkDB+UU/1jAFv4vZWMDW+Jq/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 174b3da57d6ad857c35dc39ab39a40b1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mVXsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yjKUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kC72vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TE4tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "T+lAv3eE0z6Iuhe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAGRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "dTmqPxsRST6NwlK+BO4EvT/bkL3mU70+uwjoP7tzpT/YL6q+RNACQPn8gb8zqiW/IdeCvk1Ti78Fay8/1kslQEZL/b/EYX6/kDCVv5+4RT96mvS9f28Vv5q6dD/4RJQ/41hxv4bAxj/Qg1i/1n8iwGAiGz5r/SG+V2Y8wBYMGb/m6DA/B25JwHeW2z6apYW/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5453870ccd88ab32b7d104ff1687a7bb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "92LPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+RSQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RKb8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0NYhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FAWCP3KntD6Rm92/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAGRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "PZwLPyrgir6JgSO+UrRHv30r7j7ruq09R3V5P2VUhr+hQCw/u72iv/p+nz+FhjG/1Da2v7+EEj7CsK4/NCONP8b5dD26equ/jgQZP0bwOT9T/PO//2T+vwWBfL2VoBZATQsXQD/7/b5zzea/n2wxQAsIjr8EToC/9IINQBdEj7+hKyzABDNEQATlmj5rCwPA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c6fc42892b3196a86470803c0fe82b86
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+hf/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QiJtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2Lh+vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DHQtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+WbrvvDcmz4czvw9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAGRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAJAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "yPmPP0e5Zbuk1cO+uRj1PiqiGT8sPa2/EVPUPhBK4r7XY0E/DSYdQEOPRb50yPC+DaRWv0BeSj8JSaO/52tdv+kXj740JF0/Ex+7v9DFrD5grz2+Dh6IP1Oig798Tt8/C74uQLwlPD480ai/vHA0wAqv8j6DxwS+zaVOwLbIjz868Ee/w8tPwMziyz7PKUc/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 288a70b6160df25e15da9d8d4e0a49b8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nbG+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PBGEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OPbsvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XKcRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NdKKP/OTqr0H6/u/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAIRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "KN6OPugfwb0H9hm+XNYWvxpXWz1sVXw/FG19P5oOT76FR5C/UrP6v7iFMj/QkCc/xNoGwPJPdD+BVtW+r6mevoG0kL4taAdAiWoywJcoZj+Xh78/f5DoP0n1pr6KERHAju6zP1DkCD3lOE3AHBpDQDovWr90xw7ACNleQPbfm78dWqe/tIhpQG1mbb8RS0jA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b5c387f5afa900ca3f9c9be7e45edf33
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sIHoww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ahiGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gh8Fvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UhEHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "S+ocv7IRCD3whck8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAJRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "JjNiPxclkL2Ail29x/eTPbDeab8MESS/Tkeav35qLb9tkvC+myztPjMqgj8V1jU/6UlFv405nz+/OGA/kj/evwnCwz6Wco0+wZE/wGU6Az9SVb8+5lxNwNfvqT+3U3I/R87sv5ztqL9he2q/iq0WQFtWdb4/TTi+jL06QHVdCz8uMLo+HOo4QFnsj7/Ixky/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 87d9490ceaac0be12e6f4a8246f00ba6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nBH/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cr9zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2CirvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Bisevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Dk+/vpCIKb8TYVO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAKRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "UuN7P/HC6TyV0Qk+IYj4PZHIhz826zo/TsISP9d9cr/uHBC/uBMRQFbjIj52I7g+TLCZv6nMaj/l+eA+435OvxXcfr9VoUO/eoEXPz1z/z+iDbk/iN/Yv/L7Eb4Be7i+xqqcv6jWBsCRYLm/M7MJv/7jIMBBFgTAX/0KwB2FBcDUQeW/8NQdvrpaJ0ADX+I/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 551a5770897442359a41a0927f2e8151
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jN66ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NXx7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yLXBvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UaEavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aW8IvyTuUb65iC++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAKRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "oYiOPx4nNL5wnhM+/h+EPmqh6L4DDKk/uiyBv4GVJb+kPZ4/tjpHP5zcij8CbOe+/AesviYZoD9MT4K/6gTXvzFaAb8AZlQ9xY2uv7OBqD4Xlnu/xUQ5Pxtg6r5EjRNA0p4GQHPYY7+J/0K+koYFwEqD7z530+O/FdIowEQzgr/efl88PJYkQMlt977O2YC/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 761c9068d902a2a6a2c592d098cca164
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RfbVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ga2Dvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CjG3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rcErvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ppssv/UtUz+daLu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAALRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "CMpEP3yWl7zE/wk877WIvTlf975iGV4/t963v4HKm771Uxc/T/Xevwa6yz6cLyu/8g8TwLJZP7//a7Y/WJNPwBP9C7+5Kow/MCncPkCZIT9f9ZK/YOZcv1R+WD+uxb+/ITcMQFuTJL6nbmM+xMOPP4g9ez8sNeW/G9wxwNETET+1D3K/M5xVQLrYer62Wq4+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e3d602dc59a9a8548d97dddd77cd9c14
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FubXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NxaEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KzGvvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2JMwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uY0mPmuajz/qBB7A", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEALRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "wwlJP5+rJL1nLYE80fP4vR+fxr65h1s/fie/vxlUN752bAc/HYbgv9zX2z5rD0i/3t4OP2EdCD/6BJu/Hnc9v3F3Qz98H82/kvWqP+KsRT9VJue/QKcLQA0Wer7NGqo+PIQXwLeY/b43Qac/7xwywLcPGj/GmIi/08VTQE2bx75srAs/JN5dv0qJmz8OAyXA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d839d0dfbbf0c464d835687f42fa343f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jIPoww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2A+Jvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9dUFvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "u0kMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LspsPrx0Ez2h+Ck/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIALRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "hqE+P0o6Ur6lWtI9eOOzvr2uZz7pmD8/nse+v1iy9z6qDzs+MzZpvpGD1j6J7A5Auu8xP5Nr1r5vuaK/0OlOPz/MRj4ZqzNAdRSTv1IrRj8yWC5A/jDMP6vFw74lcyA/XCQQv8GX2b3Kp++/KKzGvxarmj7tDpu/S7fZP6bpWb/1LPS//Fq7P0wUb7/oUDnA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5dcd43500a4348922f9ba15393f29330
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9tfXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0CuGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AADgvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oFccvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DRqSv0Sjnz97a/C+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMALRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "I800P/Ftmrwfuwa+Dj0hv809Ez8HeUi+XTDSvwrXN77pHd0+prXwvjNd3z8qaWK/fg1xP9W95T8zQ5m//p7SP8stRD8TBUO/PGayv3BRqL8+aYI/0urAvR855L92gYI/iXSbv1HTHkCv25K/NNIrwDpe+T15UfI+mKq2P1MeJkDPVd+/Jdh4P/rfkr9WWuU+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9d22dc6d83e57eeeff24f6603732a5cf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4+j+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CqKGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0qzsvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "q+0Wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5gUQP/FLjT6VtxM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAMRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "brCQPzk7TL6XQaQ+omGIvreslT6ZMEg+t6drv5KE4r6R/G2/1+puv9pnlj/xzlk/J1OhP69koL8LNUe/KUBivrW44T++1Os/STTXulMuqL9Ku7m/vsu/P73ZDsDIy7O+ZZ1Zv43CGEBHqQ5Ayf8BwEIXsr7L362/Yqz/Py5p/z1jzIs/e+ACQHwKe78oxL6/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 47a057af9ea764206af220403064994b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "K1bsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tCB0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mKfTvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6EwKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "30/hv4SeDT8QXaC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAMRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "M18uPzt2Sr17fZG8HrIwvxaD9j6MNLG++bTSv9mDor5ZotM+nPOFvwFXor9XBpU/gmLVPg6Nm7/ukX0/ZsmiP0pL87+/R78/vz2Lvx9ctz+SzI6/5il4vVT8BEC4POC/8OPgP1xNnT7/l9O+7h3Fv0Kg/b+yvOc/PostwGFdB77iirM+CA0Ev8XGL0CxxRHA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9f6240b801b5b54cfe1034a5d3aa3078
username: gastegger
key_value_pairs: {}
data:
  {"energy": "u38CxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Cyhkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8L9VvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "D7guvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YVTiPov9JT/6CtK7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAMRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAkAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAkAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "2D1qP4vX5DwcxHa+vSZ2Ptzgkr92Toe+RH+Qv46CqL/APZg92D88P7Ya/r/T+Qq/PXbhv1a3kL0Wyes+4ebQv+0sG8BibIw8mp+UPr7Rlj+WuQE+c+uJvzLXjT/6ofY+EQ1zP73hFUDgHhw+TlrIv1EQAkAs8kU/waUzwI/FAb70Tjs/AfsLQOiJE73l8Be/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6cf66f34b0b9994f1394c526eda3f8f2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rPDVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0uSKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uVC5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SCE5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "x0Ywv4hGwz9JEYm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEANRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "+u0jP0+xDLzFXbU9+aEKvzfFBj9kO9G+RIM4PyZdkb+uDlM/At7Wv/ova74K7o+9SNzbP18QND91dWu+BWWcPyGH3D8TKHO/RSswvgz51T/9coy/XrTzPyu5HUBqVau/gKBQv67nFkAasc+/AjLMv2pZqb/YvSQ/aGW7vuN04L/QWYo/avYqwFt2kj1sQcm+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 324ae4ae15676a71d31830057c0dbd7e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Q3bqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "G56Ovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3NXrvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SFEnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IeoGv7X9E79ZaVK9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAORA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "EGeSP+l04Lzny5S9TkEHP/POnj+s0m6+e2osv/vrnj/1NHK/hSQUPzVAnL/tla0+Je5gv9hEmb8MxTs/kPsJQGMbGTgDTGS7kK/qv4S6/L6QZIo+MK3RvxO33j4LMUG/kw2OP7+uD0BKsK89w2MfwOma/T7ULLe/eb6dP5qjDsAnJwA/JMaMv0rN9b/ThsI/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 63e9d79343119390fce21f40479e8413
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DuvVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lWJ3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iULrvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UMEBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YY7uPoeiGD+rW/09", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAORA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "hglxP1X+Wj0w04A9SEqfPq3slz9S02M+Y5WXPis+l7+U3By+iql2vzTInL/AAWi+pRCBv72djz+9Oxc+rugWQGS1wzwHPvA9EMzev5IfDL3oFtC9R19AwJYASTwm4ki+1cRjQBYG4rzThR0+Dt+TQLIFjr3LLUI+XF9XwCbqbL/FEb2+98nAv3JE/z+50ok+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f726871367c41004e42d3971be94125a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/lfsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/U2Avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5ZcRvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KgjevQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JUBNv9UEIT/nUpi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAPRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ltaXPzntyD2sBnK+ACrePiEuDD5hcrq/mv+Bv60Cd71gPZG/0ceWv2i5vr5FkaE+IvP3vnt0pD9RTcC/89zMvx/cHr9qiO2/OslxPsS6g74h924/30oLP5fp2b7kBQVA/8QKwH8vPr8bsmM/DcsWQIr6qj7fdBy+fRTMvp78AkDRRzu/NDUwv+/T1D+a4B/A", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b309d8a86c8c8b75af5cfb95d535446b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9eXXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "K2uLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0GG+vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bqU3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ob6FP/+yi74aaQk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAPRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "clBGP11bTz74twi9WLobvhOWRD9mGlu/jG6vv2zckj5zTyG/Q8ybv5yNHb91SL0+/tfgPRpVMr8HHkU/pjlJPnnN3z8yDOm/ajMGP63WIkC0FibADmVEPy/bwL8N+eQ/AdbuPwGkrL9X4+8/nqs9PmztEsBR5R9A3HzhP73S0T63HKm8bQEDwOF8lr95cEU/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9b77d4b59078e7fa68c401c1d5375fa7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "f/LVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1m6Dvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OfLAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kGQmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uoP4vvgZFz1KQU8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAPRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "vJkcP5Aff75rN6M9b0Mpv2aRKD7WCPk+eAGIP/ydO74O2pq/kTe5v2sCKT/i/xC/puGKPnU/kD7eSAXAslSBv5NmOD9/SOa/MVowv2XJn72or+w/ROj+PvDQG79MChBAoCqiPwJUNL+BfJY/1Iq/v+tR1T2mpSJAwqERQBSpir9djJA/B18dwKkAgj8ahci+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f7f967bbdf6dac232da8492e4036546f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XtO8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "z0h0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mDJwvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KTw4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aYyOv8AE8r8CmhxA", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAPRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "7HpuPwJOsr6Dmo89wMm9vh5okj4H1T++X+IsPyFuq7+jOZ4/sLY9v1iIlb++2sE/kbCjv0W/fL63AjI/GOOfv+dp07+K5A5AdtRpP4ERF8CbxGw/ZgMkvyXtoT8sFJW/HNpbv6R8BEAvNfy/ni+mP203ir+HNAZAUQkVwOwoeDtJQkY/cPb/P7COOb690e++", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 42d97167551ac4f0c9ad99009f657acd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YGLPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "on9yvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "duGHvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "544uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8L8pwGrBK7/4qqW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAQRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "BIaOPz4psT4WsgQ8oM1YPrJsST94coW/FEaCPgd2Eb+wQmo/gPuAv/uBgT58q0m/v6HnPqBKuz8xOuy/qqKIvwUr+L5nXcw+QrjSv0hYqL9Nm9o+lRAHwJ9exz7Ja8O/hOYuP0ddn7+vDvI/ndERQOkUGz/sQlU+A/E4wCo0BT4ig4K/neBxvZXD478YYBZA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9ad0553a30d827b835b058f052e2e2d7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mdrXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nn2Fvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LUPcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ptkcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BYvrv61RN7+LT9G+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEASRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "wSt2PzUmRD5vha89ecqnPZd0CL8mt48/n0xEPygDx72Puqa/0Fmwv8yZDb/Talc/1+6Vvt3wSz5rrfa/IyfVv/OPLj6UkmK+yd2zvwa/TT+VdZ6/15TqPxFXcj8Ke9g+DkAvPwfQkb8HOgRAiSEDwIVFnb+J4aw/RPTKvhqOhz2UBUDAyFf2PLYzzL8NKS1A", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9e26c16130f27d733a8f309da2a0e043
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LIACxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lL1lvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "58MzvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "msw4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5nRZvpFEgz8BNY0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMASRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAJAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAkAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "2sGRP0i/ADzySZ0+j3kGP8D4Yj9h1JE/WL5Nv39SkT/LPIk/UP3+PgKoPb9DwjS/G6+rP9nWuz8EigBAx3ptv/xY6L4vgEG/q/yPP0wtwb/RZbS/1+TEv3wg2j54baA9DCmiv7R+6z+De98/sqkIQH7uEr5WGcw+msUmwP+GFT9DKLm8Q9TOv67Pjr8Tjte/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fdade483c3daf4c302562e2e0eafae63
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Cnroww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9S2Dvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aYwGvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ap//vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7rGEvvERcT6DwAK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAURA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "gZaKP9ommzx/2gW+dXQsPghThT8NvRA/34epv00LVD8z84o+5xoSP0lvBr9LFa2/IasDv17fjr8PkrS/wjDUvzK0FL+zIww/yjMXP+cT8j/ob6U/T5APQDbqUr6qkaM+udsuQEH6ZL9PSIW+Tguav3VFvL9mvTW+22vBv/Qqiz/lg0e/KnH1v1RLuz/M6mw/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2de78152489286c91edd471f20a7cfc2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BIEAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XVBvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mSiivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EDwevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yv2eP3eE2787cD4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAVRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ezxwP2ZXKbx2cG29SC6WPgAQjD89AqS+0K6xPo8PmL8FO5E+2a0PQGDo4D2z00C+4BeJv5KhjL8lYq0+5UuWvwYfkz+zZUq+kvuDP5ICGsAL9vI+33PkvxkX0ryhCwk+IRgCQKAzE8C8Sb8+6KxWP03YNMB9PbA/mcLPv3OCAMARMBQ/jifUv1jMDUCoSNK+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e47b97b86ccc9e1d0859664605cce95e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "A3Lqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uFuCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "F2bhvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZAQUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tTKBPynojr9/2e0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAWRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "6f5FPwZq/73TbY88+gTUvc620z7jP0O/c/a4v5wlyT41/Ku+pKr4PvxNNL8td5s/E4DXvzJLgr7MyXk/roEPQKISHr5DK7S+zFFEv7CKR7/bMdw/vlIWwNJZXj/GAn2/pkE5QLEUJb/yU9A+ueIswMIFmL621qw/cK4rQPpumz4U7K6/dsKZPyWMjr+M8uU/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c5c0021e950fb0b7c9c5d753aeafa070
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iLsKxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5KGPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nuwGvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KlcYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UidAPp4Msj8FwKi+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAXRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "7CY7P0GKxDvTUBy/xloZv5ScNz8BPpK+N2ZYP3AmmL/P+iG/Ttz1P7CFdD8qWWe/XczYP7SMAkDLEV+/lmlxv/Eppj/XDpO/oNZAQOIyBj+RrpK/yYXRv5N3B758dC89RbG7v8JTfL/tUo4/4ycHvyBJUb8BddQ/HcGgvh2MzD9+xT0/LWQTwCnO47+NibI/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9662b8441cff33fb9ff21e1cce6d4028
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rebXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+ROFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DM3VvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bEEfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JxSivoCCizwEHEK9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAXRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "PVBdP+aVhj1JbrI9FX00vvT1Tr9Mz48+vBq5v6QA1L7++P68J0fav/75VD8PVAi/NOX+PURdBsA7000/6+0xP0USrj++Yde+Dv7nP8G5Vb5r+p8+2yMSwEW2ir+dxOU9aKg3v4eN0z+voTa/SvXQP5hfB0AcMRW/bABsv2QuKUDaXI6/bJTCPmNTScCNXZ0/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f75b67e2986136eb3c95834da48952c1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nwQOxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "r3ePvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4XoUvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fXQKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GD7ivSScDr8bZAq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAXRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAcAAAAAAAAACQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "BlgsP56uZD7XW5++LrDrPbY3OT/fLzw/9I2MPQ5fYb/tvoi/NHuKv3U4ID7eHYw/5SgAQAqMSj8aBEi/pqEaQF58nD6M99a/KIIiQFBO2T/0E0++YnmRv+ZjrL+6VBe/uFHevynhTL+Zzws/REfQv3ynLz/FoApAuEcfP/ivr79uQgbAZxSPPRdZCMAjHiDA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8c40c8f4ccb5ef8ffb0309c661d3190a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AVvPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xmuOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MErQvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dLI0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8bqaPxLCYz6+pBE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAYRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "6NI/P5XcKD7xTTo+SlAIv8qBB74k9wy/28jfv0Ys270WzpU+gikbv8Hrw7525ty/ryMtwP33+b3ra3E/GrQfP2wIKj+S5Ls/JEsUPrL8Dj2DZAFAgD32PxivIT/o3he/QJnsP/M8RL/fFhW+k94ZQPqCYr+yQDM/lVzpP2UWRT+WB9W/6Q8lQB8TqT90rY+9", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 13246af72ff5d178b8ccbabfcf20bce6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+3XNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Nllzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Vkh5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IAc1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YB/FP9uiRL/a5pa+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAYRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "dVByP1VAeb2JSI0+mqqRPVWUGT+6h5I/jRemv6kjJj+ygSg/vIPxPsrqiz+qLg9A80fiPlNREr8rUF+/Lma8P+N7cT/s9xdA4ntKv/I0Br+u76G/TxXZv00zBz6t2Oe+XaEBwPsLlD+OCqQ/m9mzP7YFkr/pYtG/OlwRQJ9Ns78t6Zi/VuSKP3p/2L/ElRrA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 83e7e06426cf26b23d18be1a1c6970f2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ymCyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KLVXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8Z0YvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rI0xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "d/grP0D2ur70bEY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAYRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "WkGnPfbx3z5xOXo+oh+yv6WVVj+614c+QhEtP1cEoT/HJy8/ZuQDwAiGHT1EPvC95y3lv31y9D+akiM/dzGSPnFkWr/G92g/xe8APx3TU78sr/I/P5WUP8vAx7/nSpw9Q5HrPmmKlT32wJG/g1inP1gEib+gtYu/qgBuP1SeUD99L9K/nCDPP1IQH8Bgscw+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aa1817a3b0be6f9482a785e1aeb264b2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "w2PPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "b4FUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Dvi8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0ArsvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nRHlv9ielT/fGvg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAaRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "oJE3P3P13D0RVYS9WPB2vl98gT+eihY/NRcDvpbijr83ghK/Pw70PwswhD7MEF2+BA67v1pr4D5N/vQ+NOS0v+cWTr+rmUu+qlGGPh0fBsA57JO/kFENwA9bsr9eLcK+T5UawKTnTj/fdlM/3cQ1PjxpC0Cvfps/R0eNP8juHEBsE2k/FbvvvqIKPUCYVJY/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8727ab1a8b41451250a639c014876d3a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OGbqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TUxHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pyPAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "83TOvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0EQQP1Q6uL7G4Uw9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAbRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "xa98P46kqz7iSoO9tkWJvvy0o740GHA+a5w1PwIioD9iVJO/3uCXv+5PRz5e0Ry/AW0PvznhkT+tArq/H/VlvUIymb/iiKA/NSsgwGVyh71nzUK/wTqqP6gRZ7/TRNA/FTg0wAujAD8vzby/paL1PxiZvb0iljo/9MPmP6L65b9h8t8/aAqxP6Tz9T8K5dS/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1731dbf27eaf0e99a5ec1439a36eebcb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Cn3oww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UriGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6rHNvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "r5cmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tTJpvxGNij/9E5y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAcRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "70KJP5i07Ly5Oig+AIaiPa1zkb+hEuM+Bsuqv/GbOb9Wmvg+f9Hvv3ykyz6a7h0+KqBlP8/BPD+ZSIS/nM3cPs+cEcAI6Sc/JMHXvV6Ttj8tRqS/DPqev2j/sj/mXPa+bPEEQO8SGT5fKWk/mhnzv5EwBUAMzFS/WMIAwAUFub+srG8/9+kqQMi6ZT8L0wk/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 431c3e222db9b32243f2badaf5352217
username: gastegger
key_value_pairs: {}
data:
  {"energy": "w8ufww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YeMqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aeJdvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jtXmvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2XzsPhO4Nb7Pa7Q/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAcRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "QxpVP1fxiz4vsT8+CpcVPu12yL5Q844/utaIvw/4Rb+qgzk/zHrNv4J6FL+/4Pi+BUpqPvTTMj/ve4O/JVUJQN7gCj8Q/Po+0y/Lv9H+nr/h6bo/oFGCvxzahT502bm/FM4ZQFo26D7RG7s/rBgkQOFpqT847Cs8VygjwDODjb+Lhh+/P6VKPwmTtz/pwM2/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2dbc6586560b4af7ebf5e389303929a9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "q/PVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mIWOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vhf/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UX8dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "98yqv240UD/qeNy+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAeRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "KxFEP2KiDzyv02g+NfYOvjm3bD+YFL+92HoSP3bRqL9TXYA+h/6pv93Pzz6XytO+KJoFQI1c7T6sIBY/yolJQOEoVD82e1w//2HLvzdyar+SQNO+hx4hv0rC4L/l7569AtgbwDCsqj9/MUu/fPIHwG0P+j95x9G/aJgpwJquAEAxgRs9GCRVwIBFRT9AwIa/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 278262d6981cd252ffc452193a5f9fdb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/YPoww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pwKOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5NoAvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aiobvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "L4aGv7snjz7shr2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAfRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Pi/rPkiYeT3VbRw96h8Rv8zSNz9qOzO/SQV6PsDegL9az1c//wJuv9+zub/xHHw/mjPtv59OXT6qc/e+dWr7v1ddSr+ZOZo+oPKJviyP1j86+Ly/JgrqPxYwAj/qLCe91qw8wFANm7/pWPs+ZGqPvxvfAUDBn/S/jyfzP5O1sD94iTO/mxwuQBT5x7xVtQs/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6b4fc06a8c49827bfc5bc60e0c7e382b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XUfRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LC6Gvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tW4Dvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "o+0Ivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SwJ0P0dy4T/ufF++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAgRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "PsLoPny59Tsy3eO9Prlav0rbOL9kkoe+HTEOP3r4qD89his+Y74cv7OQDUD5v60+KlDFP6yr4j9K8Ig+Atzgv/p86D+h9sU+60nBvmOzUkC30tU+43TGv6KKm77W9YG/PuTbP3fnRb/vHo6+n4viP9559r/nGB+/jbUoQAulOL6CSpS9hgeNv0pk2797or0+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b4da0bf6c7327ea9edaea287bc865da5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "a1bsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uB16vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MdPWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ILQOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jV3+v23nez3vOA2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAgRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "PzBwPzN+870m7hg9OQTNvps2TL4FpSK/5qOyv9L1pD6pEJs+SJVUvwcfNj8Wwrs/HiYJvyokKb9jl+m/i7ghP9Ss+z5Dcbg/pTi5PyuYOD+6IRNAo/7sv5gAJL8HbQ/AFvLmv3f1gL89bkjAtUisv/2/kD9ThxRAYT0BQBny4L7qmL++DKwcwMiMvz5Cn289", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f017575e055c3ce63318395a9e43495b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "boIAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cjJhvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nIxqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "S48mvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "niRtv7/UT747/KW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAgRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAkAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "0QyEPyxp1z0WbJ48t/jsPkaMpr4Q/Ye/hqFhv7At676j+Im/tHuiPtyO8T70XKI/khzWv7LwLL4sXrG8WUiGvxhskz7skY8/Y4hUP1EEYT9FzRJAMNcWQATzgD5qopw9AmYtQHJkY7z+/Ei/ApzMv+oPBT81+fc/G9YvwEHmir4ewZK8jZSzvzuhZ7+xAg7A", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 94e1122c73e087eb14270d2fb98b0e6c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7Vnsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uf2Svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "p3YGvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "y4Qfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aNDgvmsOcD7d7xC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAhRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "TpYcP4JOub2JZ0Q+iwBhvzl2mj4g/Yg+XOXWv54uR77v0YE/ujOUPxo0RT8XRVS++L85P6cYnb9lcl2/X8lfP10tD8DgrN++ldGnv5dksz+a8Da/RL+RP8uEAr//Sr0/BKcgP37Tgb8DdwLARwDKP/iPYL8G2R5Atm4Fv8czBEA2L6q/sSgawL3xxD8R4kG/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3523a18226f9b5b861789ee31de77773
username: gastegger
key_value_pairs: {}
data:
  {"energy": "g1vsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ajCFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "24YBvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+dkIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "G0cKwDp6XD6Modw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAiRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ZSdaP1rYU77gQxs9w+gfvqkRHr9vhI4/TVWnPrFuHD8/HJW/5qiMv2lxZj+v55C/OH8AQEcDBL/UpAw+V4GLPwtCdT+QkgLA/+G9vyhKcr5jEnQ/BIXwv+AR9T6r7f29xyLEv94FvD9O7vi/81s8wAuALT+o5JO91phKPls+pL9jxQdAkvYYv9MuvL+QIi9A", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1c225b31f519dad9c749013447df192b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "buPXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qyKEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GAiivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SkE3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UYgwv6Me5j/6fvo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAiRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "DPwcP+UkYzwR2cK9J3Qnvx6GG7942gC/+IQYP3RgeD9qDmI/WI3rP4iYvL5+5TO/aGUPv8T5qz97Dbw/glM2QF3dKr+/8pe/atW+P3QyvD//5Z0/WHbnv2XHlb0vLH4++Bvjv/A2Vj8av5U/m+5Fv+POu78TEq6/R1wywEYf9b6B+iI86K0Sv5UGA0B6KgxA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2b9d76d959d38a3ecac59e4ce512d4f9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FFnPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IjZ4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ms7OvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1c4Qvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WJBGv/hwob8MyJ6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAjRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "+5mBPzL5pD6htRS+x53dvpj4Xj8IqGE9Vuqov7mzqb5xzAG9u4lcP6xMj79iIBy/e3c9vwiHAUDJmUQ+IisBQOICdz/am7a8lhUQvzaFwL80Se2+nTxmvxN2qL99g3Y/2oXXv1Gv+L/9ZJI/1luQPzPvl78S39W/6W2/P3M8578FUUa9hMQWwOrAdr4WNK6+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 743bfaac49cb5cc96c73db9f87e7041c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EXTqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "q7GUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iev4vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ku0svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qBgXv2k6Oz0iGm0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAlRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "1DykP7yF7D0po2w+av/mPtgIhr2VQYO/1Yhrv1PLF74AQ1a/cuW/v21JkL1rTs8+CGkrP9OqRT6Drr8/zWQav/ow2T0Picc/Qw8wwEI/FL4E9RI/+8AiQOf/RD4WvbA9XjpPwO8PiL66K6K+GwQ+QJ3Inz5ZV4E/ET6Nv7laJj5YeyFAIu1gP0FAD75MgAjA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c5df0748a0abfa1a2424d8f9c2833e80
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sOT+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8kGPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uFrHvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iNY6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "B1+YPIEmor6Eu8+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAnRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "nR6JP/TUNj5fN3o9LusKPsRKh75vLZk/4E1SP9TcF7/Kqp6/nlGVv/sq474sCFk/g3ELP+htHb9R2RBAv0soP/jP07/yKoO/LUzlvwqV3T62hNW9mBidvr9geb2al/m/69Wsv1pb7j4v36a/3JTWP+VQ8b7ByPO/w1P6v4UUiT8Yrvy/yWf7P9Ogdz+SD1E+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bf8e71eafe55e37520959db0b74c6494
username: gastegger
key_value_pairs: {}
data:
  {"energy": "D9PXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H5+Avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Tdv/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mFABvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RghfvyRiqj6IEWo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAqRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "91dsPw0CqTxK48W9NALKPKLchr+C3Ty/7hi0vzzKbb99v6i+3scKP/GXuD/FznC9tvW5vl2f8T+3vCo/gpcFQAx3l77KDJQ+hUcmQMQzCD8mWx0/mzvcPhfB4b+1ps+/e3uPvwrnXj8GobQ/PxHJvx7p8L11tjA/xDSZvxd3gz80oh5AyjALwA44qb+18Xu/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fcc975ee082c5e0457508fa41704b4b5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ONy6ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "o5SAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qb6zvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8kknvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ycgBvzdx8r0mx42/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEArRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Y1mMP9zMpr6WCii+BC9oPphkL79bq6W/iG+Bv+TFJb5FJ7G/UGIfP6Jurb9rRAPAMh/3Ph2nH78u0Y0/ElsOv1gadr2w0L8/V5y+vw3JUj8KwN6+Gs3Qv/aSvL4KDBDAy5cTQMtS7zzpoZW+EGWYvyO/cz/kr1E/ytkuQBZBMD6yxyA/dGkLwJEbyj9RPlC/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a310972c980b38abb78c82d29e58f73f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "n3noww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CJSVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gzD3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zo8vvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "y9uBPoEhqz645Dg9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIArRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "jrWRP1UMqjtboY88lTUDPj14Pz/xols/QCqRv+OfUz8O1q8+I8E0Px9Qqr6cUK6/MCThv2+mEL9xjR8+kV2pvzI8m7+h8EW/iYECPymQrD/9a/M/X4qKvto45z9f7BdAd/cVQA3YVr57Lbg+u/IeQBv9Bz4Boqg/YlLbvmehS7+mYt2/FZe1P3YpBr4PKgrA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a7e201fc251524264870be4a69cefb85
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FxGPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OdVqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ml23vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bCYPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0zBsv1Df0r6wIAU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAtRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "1sbLP/iZxj6+4o+9he8jPw5x2L7djHG/0/nsvrjPhb/1pf29Y3pIv4ybmD3JnIS/nMLevimxjb0X55A/lbiDP0ojNT7Ra4Q/alFpv2EMAsDfGju+9RB3P3hLYL/flO+/YmqQv9GMaz8MrhY+6+Nnv64crr4GqwRAWBtFv5aP+T8lG+k9u8MNwMxAYz9+QoA+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2654a2c89b42fad598e8d884ab96911d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+H8AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8RFxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Y5x/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2Coxvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MBJavLFtCT/f/VE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAtRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "/D98P/otJ74nuuk8L3vcPlHHOL9MB36/hux5PkoDGj8Oz38/rxETQLl+jL75N2o+e+OJv0VBNz89PUs/AjMpQJKaT7+0YQC/RvVbPwyXlD+ljAJAV0nXv9mMFj5twoS+ZUhsv1hCHL/rFZq/oY/fv5CooT+cI7k/N9HCvzXKkb8ksQvArC0hwOuxbr+BjgnA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2d40c11be9d088a76bfa6ccc414b900e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "i8u8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hXh0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "201wvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DmU4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UdpLP9ZuO739MIK9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAuRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "djg/P43LTL7QtyC99LTkPABjoL9CnFI+tzCkvyaKWb+9u4c+OMi/v46UAD+um3c98ZaxvWpfhj//Uiu+MAckwLQuiT+BTYw9PXT/v+K6xL9KxOU+6CSCu0Wtwj9VRpO/1KUJQHdbfb4uwim+seEmPhSi5z9SCRQ/eFFWQFKtWb6H0ZK+ghONQIb1Wr7dwb6+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d422edbc813346cb63430bbab6809f3a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "COjXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CXCKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jBTKvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zNUvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1bINvzeJAb4c8AE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAvRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "z3FVP3d0Rr0cnBQ+tdXivb+HZD43/Eu/we7Av/x/Lj41Ygu/ObwlPvTq9D5Ph96/ZlYSP+8KxL6wm68/XiQNQH7WUj0QBJK+l/pCv8V/6b6z/tg/C8Tjvw0oUr5SmlQ/Vkw0wCPEjL6Ye5A/d5xSQA+PBj4DBy2/tSATwC1t2T4rsLa/KcJ2v4SyPL9kVC5A", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ba917ab6ad07026300bcf4fd885b6a36
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9YHoww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kWKAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QrQWvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wCHUvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IEEhP1a3lr8/Nd49", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAwRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ywtWP39Io71lQXe+0gdIvR9SlL96oqA+QaWlv5dfdr+avCc/JiHuvwuDmT7QFgI/DSKfv/Kupj9i8F89QWzuPc3CnD9XvLS+Wnf+P92Ql76ggAu/E0A3P89GEEBHwE6/SX4GP8kCF8CTM+E+09G+P7nHHcDD6S4+xVaNuQKgSMA/DE8/GTZNPTZZQkDYAU2/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5cff6cb4d4300b72b3b172133d355913
username: gastegger
key_value_pairs: {}
data:
  {"energy": "p2jqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vtmOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Di79vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dRwfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "g4Yuv921hL7sTGE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAwRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "qSiSP0hnYL1pkXg91+Q+PpUOkD8jj8q8PN+Xv1u3aT/AJxA/eN8APykGDUAfO+u+CQD6v8yxnL00IKc+4+nDvwfvk7+hXN6+U+3HvxKA3T/FB5c/XvzWvgJk5r+Bw9++LKMSwA1xzL/2d4m/q/QWP+vKob9W/Ns+cpwYQERwDD6XDFS8+BQ5QH6nPb8SivY9", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fa0b33b54c0a2d96af8f7da71f4ebdeb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2+bXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BKuCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1jrRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nbgcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1CshwKYP2T9k6fM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAwRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "cVYXP4L+Mj1qVzy9Kqsmv+ccQb8m6mC9vAElP9D9qj9FvxE+vxECv9muAUCeHbI+LB/cv/Qlsz8TH7k+9P7ZvlcGRkD0EgA/uznjv9zzbD1k6ik+tZXoP2CxK79I6IW+wYMzQGm6n79y6d6+jyUqwFsW9T9RnwU/t0wqwEkP3b4vOy8+qyNAvxW6+b+RzmW+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d64bef6c10546aa96c306dc7e7f43e68
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1fr8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rK14vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XcG2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/kwdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "18CWPUMcu77MRXy9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAyRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "HCNZP136qr03voY8kOEcvQNrar9bT1C/IfS6PYg7ZT8/1kg/V0Crv0UAUb/OK1K/UpyZv5Lhfz/GeUA/kQQVPxm+6L/R5M6/zNADQEKCb75DjyA9h2n1v3aDGz4LKAy9j6RIP6iy3T+R88g/zIAaPqQvFEA51QBA3bfGPyHh/r90q7O/jAscPXl9I8B8IwLA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 517e0a3f7f029e6ec7fd6d9a2f84f243
username: gastegger
key_value_pairs: {}
data:
  {"energy": "w1jTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H0xqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "IjVtvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1v4uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6GpLPk/Mqr6Enm2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAzRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAkAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "oAWHP2khFbuqizi9eLXVPlUVhz8jcRO/VSZQv3A6Nz8w95W/ywznv5u05z102gO/08sQPwoZXr8Tylo/CcETQBOyd71Zfum+7errvxO/nr4J008/M39gv8r8hD9h/gzARO9Iv/6mQr9RarE/Gppqv9E7kL8uABpAhJ4uwLXIQb3uYIi//EKeP4Qtz7+MZ6A/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b8066b2d9b465b9c517e3fc7b2a218ae
username: gastegger
key_value_pairs: {}
data:
  {"energy": "v2nNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5rGOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "IQTkvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vGErvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2etFPwEYz7s421y9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA0RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "OU4iP9WbA7518k29ki7kvTOagD+25mM9y/TLv5sLXz/ufhw+FUX2vUa6r7/hGG29PQ7zP/u2Er74Lg6+ih0nQLkTkD/BwgK+kIeyvzVLvL+cq9c8nFvpPredEsCnHhK+XW8GwKTObr63vwo+8tASQF3x4j/qYXS/yF8bQCsp1z/h6kw/cZFrQEEcbz9d91++", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bd13fe32e33f373a2e5671c9e9b8cfe5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FdXXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H9Zrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ttb3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iNXfvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QiYRP1Glnj8qOjI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA1RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ocxNP296gT0ZFAs+2+ghv6jO+T6QiZG9TA7Mvwursr5OLJG+RY6MPwEFm79+p8w9bbqYv+bz2L/AnZ2+xFylvRWTCsAq8CC+sJ3HP+8Qlj9wkao+1WkjP7ThEkBqCoM+rbIovxta9D99iJk8P8EnQI4znT/FuAI/f0LEvyzuIUAVc629Omx1P72pVECIRMA+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 84a04556bb1f0a6ae18b79b905cbdc94
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7BT/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dENjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ptZ7vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yk0kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "F5qHv0ImgT+VSCq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA2RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "hFhOP7bbnT3vg0w+dvSbvTHIgb9joAc/9qmqv2m+ir8et0g+vZrAPQNKjT91NRW/IOKWv8tYgz/PYGe/dmbov+XWlb1j6fu+AlDOPq30AcCQNZ0/rJpYP4D0CUDlIXu/b8H+Px32Rj4N5AE/pZHhP4erDUC1FBC/soIywFY2CL42/T2/NiTPPonzPkCBj6u/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3c5fa1d06c3633faf7e0f0dfe6a437bb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zO3Vww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Sl5tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sf3EvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ct8Kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Ait3v9/DJb2FsYU7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA2RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "XM9vPxSFgTxFIHm9DSSGPlfLjD8V0f2+nHiFv9B9ij9NN9e+NS23PjD1jL+XiNk+c1xyv1XfkL/2XgE/COIWQCNgRj3oIwW+CLrOvysk9bxg+cI9/0M9wIAtHb31xVk+WcBjQFQamj2XnjW+t92TQK/myT3ubGS+Y9NawJCBYr93A/4+/TBfwCNxOT+g8y++", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 63be71e1ec3f2a7ce3ed5c3c3343453f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rPPVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IomOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bCb/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Dn8dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9dtXv3r8Xj6x3K4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA2RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "DcwwP+p2cz1qY8u+aIZevVvA777Py7C/yeKLPoBVsj5HLlQ/xn4EQGNVqT7L5zi/GP+Bv6SSdz0CF4Q/ST1LQLiZDD/cq3q/C6zov9sG8b73WLc9TdOovw+vOb/4Zo2/Y8nNvwawrT6R8RdAL/K/v4pesz8YJSdAiOmHv3OYXr4ICElAtTwqwKQjdj0qAxlA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 27a3e2572496ec5f6146d4c9f52d4045
username: gastegger
key_value_pairs: {}
data:
  {"energy": "x3/oww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vqKDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tafkvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ovEUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lBNdvwX6DL8EkFq9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA3RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "2AoIPyQ1yLtlEck9V0T5vkWOeT/Dp4u+d2rrv4QdAz9Q1VG+sNkEwMcDOb9gZiy+4K17Pozuor8WXxA+CWv2P1Pw1T62d+s+1gODv+k+yr/OuQi+oF0DQLybwT9XXQY/B6I0QIO4ub7FOig/ezKkv24tI8CCkOm8egtMvifgCkB1ehu/nYKHv5MeLEAkuU2/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8dc4a4d44970677ae981b4ea91b6a821
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FXPqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3PKBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EJT7vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sBsGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WJDmvjdspz++ajU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA4RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "iAIgP4UMjb2Xx+I9FQ81v96w0b4YY96+IOXSv//lED9lnVq9Xpe4v3zN0z8qjC4/SCNVPy1wfz83GlU/bRtcvrj96T+rE4w/3pfqPw2ObL8k7f69BFa+vDVRLUB26tg/Y1qEv2Gprb8CWo6/WtrsP5Uv+b8nF0K/q0omwBXD2T5F+cC+tssuQJOu/b56v7s+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 201bb8e3e455b117080e51b0bb35ea12
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WYboww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "m+KBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Qx7hvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FDYTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jKGAv6Q2hT+vzjG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA4RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "blpCP0nojr6oNiq93R7QPH1kSz/BXZa+W1mlPukIuL8NLO8+hmIPQOFtfL4Zs62++a2hv6/5HT+4CZM8HG95v4sUxL/hJUA/nCIwQLm/mL+b+6S97CDkv2JdCL88+Ak/0yoIwD2Czz/nIj6+QvTlvxaMH0C2uw+/PCtGwC+Rvz/Z7FY9HlozQPbeND/3Bk+/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 208f469549ae9d496b4afac6ac2b65fb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yYEAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Pq9ovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wolovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zowuvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IokmvzJy1j+r7HM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA6RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAkAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "7QOMP9rYOb73+GM+wBWnPrtFTz/okls/wWGIPvTeab/47T6/o+MQQN1quL5qpfs+BGh4v0T6Mr9uQX2/Am3Rv7IlmT47baq+/1J/v2pehz+qdBk/uo/QvxD6AEAj9ac/xfOCv5IwLkAGD8g/8ttPP0r+pz/Fiss/IUMrwOu78D6fZxK/0gtmP62Y8L+HxLK/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fdef25ac6c53680aa7ca1da50de831bd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8FjPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eQGGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1evWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CI0gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ERkGv/ZimD6SkVO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA6RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "LCUJP31HXb0MiAC+SR8MvVjNF74UlKS/EnV3vp+zzb2eCY8/1NSxv/vrCb66+KW/Z20CwJdY9z7clR2+iQjAv8fKxz29q5A/wfAAQL8xrL3Qywi+2QX8v+CxyT+iBYi+epsdQKA5070ttZK/JwJFwDzALz5pSHy+aSwrQAsTrr0MWWE/QnWPPmTru74sLAJA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f832a8766a8ca2928377f7aacfe0a551
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hjDiww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "b9OHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qwYRvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZkD9vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8u8Dv+cdR755HqS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA7RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "fxC/PmG6FL5K4+Q+JweCv2B57j6w9ZE+mVbVv+Pwiz+rC4k/X96yv4srBb2fA4y/ApUIPyPoqL8/1t++jbkQvxpClr/U7am/nVISwMEijT5M98+/Ydq4vTDVb7zYyQLAEbWaPwx+Vz7EDMY/Nk2DPzzNsb1XzIm/XSsAQBB+uD52h52/jQDwP59ZAT9sihxA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ac2b440f70c96ee23a6709c2fa48e3a3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qGHPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mN5+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6L78vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JH8Avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ixqcv09A8z7dzRO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA7RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "0qktPwKgbr7+d50+dJYXv0HHhb/mKm8+QZ/Dvy0hgb40VMS+L3G4PjVqkT9fga++DtiMv+zmiT9Ya0i/y0ndPzIgFL/YFUc/flOPP7eSA0A+8PC+yQRKvzPoDsDrsCY/WkrVv3Jf8D8rjJS+xpgdwDxMGL9R7wm/K/KbPTFKJcDveYg/UDOVv0EBnz+h0u6/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 78bcb57556c37583e8195052e562b70a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rkvRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EFiBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DcKcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Gk80vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Rusov1yPAr8r2YU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA8RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "gHGfPouAnb3I6om+Pjg8v/4eWz836CU+VZSzv2SLFz6gWa0/4MWFv2RL+D8qqY6+Qjkyv+Oajb92WMA/z3t4Pm55k79WHg8/K5igP4sFyz114K+/4UhbP+LTAsAZhAw/qLiRPwLfhj+FPfa/cmMGQF+iN7+A8Na/PLCmv8MgNz/xCRJAaEYdwPjxir2ywZU/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 636e92587b0b9ad9c30887301ffcbd1d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4VXsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mPppvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/dr6vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MxrZvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+N/6vt2Yuj+LGuS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA9RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "iXIGP4rqgr0IUlQ+5N9Ov1GZFr85E+w+IaRDP+xxWz+Xr0a/VsLHP/+kFb92H4g/X7cqQM70Cb5/n1Y/tkPnv1DqNb2QtdW+/A6Xv0nVsL/UhaI/mOKQvgoxqz8Wmsu/jeHDv+Q3WT9L3a2/IujkPxE9mT+nCWa/2GEawGIakj8Ei/W/ehn2vQMpBEA25BfA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a24ef57c66456a0edde806cdfcab2976
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EIboww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gsVxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gUPovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "g0f7vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6LxGvlYOVT+6g+w/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA9RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "IgWaP5fQgT38dZS8ljwNPx463j7fR4Y/XdoLP4cNEr8oh4S/BJU+v//0gz0DG7Q/NFrRv23Z/b072P0++6PKv32xoD4lFFW/qO0nwE/I7b7z1Us/31UQv35ifz6tcsa/qFFXPzgLy7+kBc2/57OVP+DDlz8AL/4/Es0JQKFUrz8WgPE/zHM7P0/0pT+UjThA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a7052817b62e7983d62f0bd5ad88a61a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cfrVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NBSHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "t3u5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jGoxvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vCI4vibHLb9N1uy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA9RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "HHpCP9Rcmb1/BAQ+4bUov2nOgT4i5cI+lEDNv6s0TD0TTQ6/JFGQv42S6L4Nr9W/rpKXP94LFL9GgIC/9h81PuSlP78+n/C/MADlvyo+Kr97QSDAs6i9P0xhbD5sN54/0LQHPyZKMj+b9AJApfDuPg9ikb9oEzHA3gJGv795PT/HQs0/Y/NEPycThT90+EJA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eb791085d4f843bebd370b3db9954831
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iOfXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CTSIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jBDevQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zF8hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "c4CAv9S3ND8dWqS9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA+RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "IIJOPylKl7y4pTM+E8VrvmsOXD+HueA9wo0wP0kptL8ji9i9hVgVv5Ig7L+mSu2+I8DdP1U3lz7Iyt4+Rs27v2Fzzj6fJXq+mUfIv6Lsfb9/fQW/tFQiwFN2sr+Nq06/hSQePaeyDkBKJtY+dT0UwAGLiD+qg52+vpGJPo+pVUCYByg/3ITVP+EMB8BshbK8", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dedebbd0431ff1fd7ff7b924617722f7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BbzZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "C39mvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iV/RvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jZ77vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "95I+P0GaMbxNhO0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA/RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "RuQxPxcXVT3TkJg94FEhvw81GD2Ix/a+EBl8P0MMdL56364/klS/P5kl0T7rV3a/LaofvvoWZr54YgpAzfGrv7SxFr8WntM/WLTQvzXyHb8Yxao+cqwdv/Xuxz7gFuC/GaM3P/5DIj+9xQLAwzwYwEzHoL8iIwC+oHYjQEtzDz+LqYq/kuefPXXO1j08okpA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4b1b3ace254bddb971fbe92026a9e9a6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pNzXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dHmDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qma2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "k78rvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "x9emPyJsID9075G+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBARA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "/hNEPyRuqr5md06+dOUsPg8Wv783oPi93XMJPmOVXD8gzXk8v0WVv+fswL9hl0s+VaEJQLWbjb57Ogi/M2ycv1TacD+f0LA+XTHnv2gxzb43ddM+LH/kv/m0/z+zqQk/LuwlPyCP3T9w4Hu9Gho3wIQc8L4NvCk//UpUQI+uQ75iOU+/ISCLQGUeGr52MIm/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7695e6ce31fb78ccf64d25b26a70b145
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FPHfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "W+5svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OGjPvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PzoFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ml9NPncQuz7bijU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBARA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "QrzvPmgaPb6/b4m+nqWSvi83CL+Aw5+/zoDgPGaMZD2dIog/PH/SvwzQ/r7d5Fq/JTaTv2rT6D5VJZo/AdPrv7oJIj/jH5487X81wFFDFz8b8mw+aJ3jPy/q7L3cHvq+IPIpQJfQND5H1hs/bnAkQBCBE7+WirI/X9UcQPj2lD/st4M/aO9pQO4RIT6i0jU+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7cc363c672fd46a40a1269df19aa4a8d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "C9XXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zF1rvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7UeqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1jkWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dZMYPUc4rb5Hyau8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABBRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ZAuQP0JFGT+xvUy+12+6PWmqxT/aI908hkH2PvnxR7/Bweq99gIUQJd2Oj/JINq++1iOv6wiwj/chYM+xbMLwAeBJT+Ne+A+LKxBv4Gvnr8PHOQ9dq2yP86I3r/iHaO+9fL2vzriJL/3s7U+6T8WQG9kur+h0/6+nmaOP6AYLcCWypa+ezZNwDZ5bj/vtyQ/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 723fd7394ecaa9215250228ad16ada3e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "F+zlww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "d59Tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3GTUvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3BI5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MskIP4F4fb5rmuc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBBRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAkAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "k6uTP3aA172vFok+SpYNPznwPD9Q0PS+toNTv0VIHz+8SP++oMG9v+nt674mg429U0FHv8pvwL+Sa/w+qg27v01l1D8TqIW/S5siwMv2I7+5LkG+DmjVPnr+i7+H7ZE/W5pDPpdVHr+yFAdA3NaBPy1+/r+gl6g/GUkfQC5vJr7lOLE+Qcc1QC+NBT9Hjnm+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 90fb094d4988c963ad3443cf502ffd5c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1bShww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9ux5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5SiAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hNg5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dxAjv8Rfgz6eXkm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBDRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "RXO1P97aoz2tyMO+LzHYPhfVFb+VpyY/4j4HP3E9Xz/ibpm//+gmvxoJkz/DBqi/765qv9lsmr6bmg4/MRfUvxNkET/UL8S+Gr9hP74Gqr8JV78/08q6v41AR79fnqE/din4PwILO78qEWa/vh0KQAfRIz9GpEc+jCYMwMn3qz/WRjY+YkQawLIwzrxY2Gm/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b6026d66ff0c24d1c39436739cc73628
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/NrXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZjOPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gczuvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jAAnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mFEAwC457rv+1Hg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBERA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "DQ8YP5CPjD7Gh4U9lumKvTe0kD/l/kQ/RLimv9gTED/7M5Y/mhVXvhOadb+CjZC+cUzBv8FuLb9Eb8w+o7j0P98aBz/HRdK+614QwNI4Fz/c04E9wIc/QJlnMD92YUq/yBv7v6l0kz/QUVG/gZ8CwLhLv7/xWl8/SQYTPpX/9b9k8mi/ullTwAOYJT899q4+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d258ad4fc172117d1383d1f702a22d28
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IeDXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "prWBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tymevQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cFY0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oS2zvz8d/z66ZjrA", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBERA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "2q5hP7SnCD4OX6w+sz5ZPkRGkT5FZUC/Z8tdPo1Mxr5h0r0/3qWUvw78O7/js7A/sOhPP+X1B79rQiFAcmGQv9t3Lr1grlq/hLHfvwwmDb/Sh4Q+EHVQP2hzTT9qXvi/tzwzwMnQTL+jUgg+EiKlPz74nT/CND3AqLPdP8Uvzz9JFHbANXLPv1/Wsz0Ypdy/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 42b198a09bbe16bab7285cc07b72b57c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "b1fsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aeN4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "j+EBvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tAPuvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QIcDwMSZJ7/eAom+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABFRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "a9hoPyXUlT6ZpPs90FhnvoKzjD+xEBO/nqFcPkthYb+9WmA/Vcm3vyTfVz7cQRK/GZmVvySGfL9Xg5w+aLcEQOhFEj8RJxg+GEyJvzrAi7+t+ZS/suH6vz2Svr/eWVk/DCUwPyA6wL+GAuU/Aazzv+Ajxr/7PcS/opEbwJXnHj/dXDK/iDwVvmwnD0BIhXO/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d6cf47a4a6fed54682fd28163c942bf1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "70zsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fJyBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MufZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "X0UWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tVRmv8WPqT8Wap2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABGRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "p2SOP1MDHT50/Wq+BfUrPYL+Wr9hv0G/eyGlv5Ineb7DO+S+TCyGPlTH7r/4+66/S8KTPsCukD/izhs/lo0SQMQ+AT7prOK+o4iLvy9MmD9YdFm976DKv+xobD4wv3U/v4aKvhINkj4JjdM/EibTv4GuAkBgotW+F9JIPw+0AUD0qXk/AY0LwJxrFL8IxHW/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a1f6699118f095e8297cd11609ad623c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "khX/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "V81jvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NdCcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PGUVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5stjP4enJ7+Ihco+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBGRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAJAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "0FqMPwSJtr5cbJw+otzIPpLNsb+qRB4/3U3iPnN2Tj/co4W+3NFOv03oYT9llvO+Q79tv4Xvp791+cg+hIgbQDQmpb5fO/o+G4jOv5nLX74emBi+LeGbP7d26j/usQ+/jn4sQILJlb9+G18/NQQ4wBdAmb5T9Zm+57G7vxMqCMBvfiQ/b3pOwLf7ED+r0DO/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ca0880e4a3a6d1fdc7a497ce9cd65bc3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2Wfqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aLKPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8Sv2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2E4kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pkQEwBjPAD6wG5o/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBHRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "g1eVP0TOKL55HT+9nTRVPZAfb78ONCc/BzVQP39fcj+Zfzy/dGgUQOAo7L7BQKk9OSSJvzqBFr7w5Jc/zsBaPgAJDMDJIE8/q1LevzXHTD8b8wI/ThsRv2AMJsCAu6o/FdQLv0R4iT9wBMG/ZDS0vzR9yb4CJwxAk8DGv0IRiD8kz1m/iXQmwC0Vpz/idmw/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 55d215d40269e4852b60478ab7140360
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fH8AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GxBhvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kdOXvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UiYVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QBhIvz3VkT6vsQu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBIRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAkAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "MYV5P0LcuT07S6w8gPOnPgTMjj/237u+Tl2Gv8L9gj+jYdG+/KHYv2bq0b140F69fAzDPkKPmL8xqtw+L/J8v4Mrmr+Fpbk+5aUwwHBAgr4673G97UqKP0R/C8A34U4/OGESQPPOEz6+npY9Agfbvz8iCEDhe1O/h6KFv+0TM0B0DoK/BvL5PpxjPsAycoY/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1aaae49f6d65e3ad16dbab4e30cdd9a7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lVzPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RWiEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3NULvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XPX5vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "deUzve9yAT+rlWm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABJRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ycVGPwTZeT0WbIK9Xt0/v63xkr1lhq49HPO/v8ravj4VE0K/VpfAP5g3x76YGko/JcKhPw+XRD97Wqe/7HP4Pup1jz9QY/6/3+sgQDeHZz+9fb2/smuiv+tyRr9r4ag/7fkIv6/Tkr+M/gFA3rggwBmTbr/lpcM/fREtQBjksj970xbAXV9CwELSA78ZeD8/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 58f077e885a13478ec3172196271e6e4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ytfXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "o5GHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8wTCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zCAuvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "veMUPwK8BT/gZ2S/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABKRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "S4ZSPwZT7L04kUm77sgeviOGAj87+Te/QOy7vzW5yj518Yy+t+DNvwURz76uhG8/wPEbwCS2cD+bNGC/6RYjv4/id79i6sc/RnIoP+jBUL8KI4g/EzQnwIY6B7+AHao/GEYIwAFEuj8+2tm/jXIHQBXdmz3kuA6/qltNQIEReD7G54O/fr+FQLiZxD5cnri/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4bfb99f4d9c8b7db3ae19d8578523191
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6t3jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7DGJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vonhvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+Z4hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qfYJPnPXMr6m1QC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBKRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Bm83PwjXBL6K1xo+nFHMvp2eQT/1xb++kybKv6EwBj8Z64y+HSgvPWL9AkCnJ4q/OT+ZP6U5FkATF56/NQc2Pg6jr7+ozlI/2tmnPwnA4z4Hul0/CpZPvxttKkDWzra/G+6vP9BExL6Oqi+/yPAqvumSE8C1krO9Z/l5Pc3Jwr9KsgBArWIKv4VUQ8DPX88+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3ee6e971de23d3481bb3691d7606c98c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mXPqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ilWTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "K6YSvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6QQUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eQYtPnxhUr4iN0O+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBLRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "6K04Pz44Rr5hm3o9ukMMv9Sn1L6sTzy/sOLPv5gorT2jwwa/0ZwzP23QKz+d7pE/w/aWvmAivD9nlNk/9+Ohv7SXsz+hKpk/kYToP5f7SL97Wmi+xH7MP1VyPj8MUc4/ll3DvtL9rL/Ate6/Yi+fvnRZBcCKhzDAb3x3vXBHCkCGQSpA2dLcP8css7/Ua4S/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cd99df88201cb885e61cdfb089355405
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YN3Xww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HcqAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "k4vRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cM4Yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FFx8v9hkjbze5YI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBLRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "SZ05P4XS873fc4y8jdQqv4Nmdb46Q/A+Q2PVv6Pp3T54aSy+vHgav1LMib/2WcU/y2RNPxEYtb/67NI/sLazv7vNtb/gYQtAZUbMPxqXXb/MHz8/sCucP1ioBMBW0RlAeACKP7VCGT+wQIS/y2UEOy3toD9vFtG/LMSgv9CfkD9P05W/92j3v5NW3D8OouO/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 280881b77dc0971484f777f905f14396
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FXPNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DcZovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "P6l2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vRsrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0m/fvXrHGb8NcYi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBMRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "kMJwP7HZDD5APTs+NtwwPUPa5b5nzE2/7aZQPgpGMj/YQ50/A8GQv+yePT9F0rI/ttYNQAFOSj7SKFI+qqulv+6pw76zkRi/o5E6P+8pkT90rvw/E3gmQL0Qgb77ah+/YAcpP2g1gr868e2/oLnvvxECXT7kjgI/0j4AwEPLTb/dnqa/44n2O1nssL/R7h3A", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8039cd688dcae324ee45fe391d74a94b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "U8XZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/b5/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pMakvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "q1stvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3uWCv+i8BMAH8E6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBNRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "IJ+IP1Buuzqk7jQ9CXNGPsECnj9gzO0+wRGWv/SlYz+Bfo4+wP4EP73knb+TNt6+YNs7P/8JD0D9sls/2VLzv2o0q7zgxrG98TIRQId9gj1t3u09/ub3v73kqb+hBBK/iyIvv7h07L/fzzW/Z94Nv0MaN8CQG4q/JNyoPyjx6b+L0h6/81A0wHlZ87+8Z1G/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4f299e41424069f6c1d162f5049860f5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "d4Toww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2XuBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3eoJvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qhnyvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RpSGPsIvhT4bgXg9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBNRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "PTCFPyPMGr3cOpu9Yj3qPjVVkr/IJ7u+biOaPibSlT8lIKc+f7Vsv2Iklr9SupO+sC8XQNI/jj3HCQG+VZzZvzv6BbwO6dQ9uA8tQE/YS78Z/82+bwnJv2o8D8AkMRC/Vx6Rv8SjiD8PusU+iFQkwBbGAsAeUuO+P+leP4U2EUCTLx0/Xr4WPrkPPUD4fVw/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1e4cde5a55fa634f36a570b848a5142c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "I1rsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "W7KKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fa0bvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cm7zvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1ZUfv92YnrrhtCA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABPRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "W5nFPoMaUzwD/Na9REB3v4GqbT6SEBk/bdKwPyE6Dz9gmZg+HempPutVbb/Zcae/fFv7v4YhpL4bu1Y+qiiqvXaa8b8OIHu/k23LvrovCL+umwHAbX16v9kVmD9+tug/28ZGvCBu0j9s7wVAVwzQP4Q+j79K//i/bUcAwPHDsj/1/BlA7HcpQPmvpL+HEx3A", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 761f57eea607bfa216b572c4f1a7a6c3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tEsbxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "g1Jkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hIN9vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ovEkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VfvUPmYUyz36YdS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBPRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACQAAAAAAAAAJAAAAAAAAAAcAAAAAAAAACQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "tcalP8a2OL1EGWg96UgYPziUo754+pQ/4BFPv89ZmL7+N5o/y9g2P7UpjT4sWY6/NgG3v6QmTj327YW9oN42vw1ipj6dOZa/b1AwwFN8pj3EW4i90Ju3Pz67Cz+GCg3A8um4vyuaD7+27xBAbKclQMcLBL7eF4U+rfaZv7e9FD+vuwbAo1dRvz1YR7/ia0JA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5024b16e25a50b271adf4bb6e22dcfb2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "etrKww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WtmGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HY/ZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Jusgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qwmivG3n+727uG0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBPRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAkAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "EElsPafnlz7OMAi/IgWfv43LHD7K8aa//PiaPp8qrT9yh7u+1zIFwMHEFD/L1T6/DEe8v8h9Zr9gor+/CCeQv0Y6UD/gsyDAsTxnP+2vz701jY2/2rxfPGKGzL7AX00/3JJxv7zbgL+xd50/XDOjPxaMqL4yRtY/j8IRQGa6ez5IW6s/pLyUPyYFXb+R+ihA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7053569d6d8e21dcaa2d46bf3fc38cc5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fHDNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Olxrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1eeqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UOgVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Su+Dv5Y+lL+OAQE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABQRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "hw2lP73vvz0Zbo6+jdjSPv4Ig7+CtYm9axgvP8IarT87LSu+Q7ghQCSldDsMbQu/LaM8QOtQbT84fya/pQcwv/CmwT/SJgs+hoJkv4v7S79/5lA+oM6yv16FBD+RFpk+k0Dwv0YE3b+pAMI+4YXOv7lPK8CcVRQ/NRpWP5UJAcDB2w++h34uwBHisr8NOU8/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c0dccfde44d403b50f79c78555b02ad7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "X+XXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4/6Dvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2hznvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WW8Uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uECCvw9FCb+OdQFA", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBQRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "lzg9P/7rOL5I8CC+1CsSv/5Bzj47+/e+j4sRPyScPb90QaI/PiFAv7xC5b55xs8/LDviP9FAgr4HZEm/bdiyP3Hzq7/LWQBAs6iwv8stUT67rRo/0DsSQIVLtr+KGcA//h6VvxQmM78gUiBA4WoawHWTAT+oTTY/OWJuv7nShT9L7Ne/nXGcv5IWyT9DZyvA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aa4ebc14b23f00b3ff5882f7bf08b7ee
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ytafww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4xlUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2uJavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LGEdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mQ2yvgSQ2r2JJEq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBTRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Q8NqPz430T77uEs+xGF8uyjcsL30K50/6FOVv7FCG7/dpYA/MHaqPk+NKrtSrxBAcczMv+9mN78n+5i+evLIPqgwgz4mCou/tadUv1DslL7Xc6q/2dOQv5eyt75epBfA2jt7Px7sEz8nrOu/Z9QkwEusk79ewOy+8xoFQF43bz9+NKs+ITsVQJdgez/f8qg/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 57869ba555316167efd97f82461c5979
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ge3+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fQZkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qvGSvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qI0avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mz28vxV0Q79N8869", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBURA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "B9BsPwpQjD43CMG8msoPPkpRlz80K/8+nv97ProbW78NvtS++ZGEv4WeGL/aMtC9bQ2OvwPCJz+aD+w+UQoLwHbpqz/w4G0/f1UXQFR2sz6UY1q+kcUxQMIjqD+zEBU+RPA9wBNWTz+5j1I/Znf+v+kCwL8sYrS+3OFCQIhtBr/cDTS/sjfMv4dKEsAJh0C/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fa6a86d7d97c1638e4f39a4b0dd502fc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TBOqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mQ5Nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UmIHvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jliLvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CwylvznRDr71uVo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBURA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "eIGePxMQ870KWDO+izLivXHHXz9tME4/z3Y3Pfj6br8O3Ii/IwaZvjgsrT4yBca/xpznvh2ykb8C7p0+yEnRPhdfiD/Dvwq/SyNCP3UEEL76tps/RGmvvy6+Vzq27Vk/G7gzv5JeRD/XzhzAg9G0vrsoBcAsRFU/eo0MwG+dnz7ux1U+q1zUv7yxUL7XpvA/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 520a488c6bd3ff5426f990da5c2ca573
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Amnqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zESJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "f7wHvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Gc0Kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zhnxPuwS5b4NpkE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBXRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ijkiPyZOBL6u8N699Potv52+yz7B5PK+E7ZFP6E/Lr9qaI4/h8fTv830ZT6xiwQ/6H/qPx8mzb3Z0X6/Rs/wPwyxrz78IgfA2Suzvz87u74djeQ/dvp3v4Wndj8FGci//vWGvpFVR7/ZxAJA+5f5v06Hnz9OgMq/qIvbPyGJi78+ero//VYuQDlUDb9/vAG/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ff0028566b581e0b53fb3a1f54aac72b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "u77Zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dvx3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YoTwvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "inT/vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fdAbv/Z6B79iEDg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABYRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "hqaTP+8MWj3gbwQ/ieIEPqMo8L1JE80/Nd2uPv0pVT5pDlS/NS6Xv/vEMT6/yAe/xjaYv2u7qb7lcVU/XPREv+2Eqb+Iacc/vV1JvzcWGcC3uNo/nC0/PrJ/Bj8cgx5ApJ1MPyoWzz6hm/W/8HkHwCTx8j7RVqm/CLfavzQpRT/98g3AiYsVQJXvgT7XIhY/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f790629c16bf52eb211b7d94b48f913d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AvQNxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MISUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AkcCvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XsEmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "B1+Yvqeu3D5Ke4s/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBYRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "nMKGP1oIUb6owoc+5kS6vhweQb7bFT4/Faeav0FOWT61+92+Ee17P+7/sD7a3pa/uudYv+rIlL88MdM/kREDQO8vDL+Q2VU/7LFAv6snJD6ygghA8Da2vu5KDT9x/b2/elRLPfoesj6p+DVAqb/uP+DHEz+xFfi/4jnZv05TLj/niBFAg/cYwIsQiz6FXQi/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d4fc77410e3d2becdf168fbf17d85d4f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jcC8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "r5Zrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3c/JvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wK4Gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JH+wvka2oz47Gew+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBZRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "NcuxP46PNj5yRUU+J8oRP/Pi7D5S/q8/U2wtv6DXDz7NZrM/gBfOv/N3n74hq6E+PG6uvz+tir7ej3S/9UnLO3ZhpL2V6Im/hrdKP/LNgj9m83G/91+Zv58Auj7ucBVAR9lSP2IZgb/Fs96+v/0IP+BmBEAnoH6/6rMowOCGAL+XVCA/Oo4cQN9b2D1a7OQ+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6d6231492602084ee6e2f80a75228ede
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kHXNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mDNbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hSapvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VqAGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "08GSP3e+3z7Y2BW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBZRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "A3yeP/CpsD4aNGM+nSwLPwy/97zaT58/YY05vzuewr40l30/eo4mPwx7vj4Dfoy/NLquv/dUwr5RXoC+5Zyhv8bzK78mhuU/PaUhQI8DNT/afuU+LbQRv3McCj1ii6q/BmWhP5VqMT/UEfm/xUM8QK3GdD/1IcS+GIwlwHDPPb/ZwKK+K3s5wEl9L7+cdKS/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3b590f8a332d85e052b281df8636e4e1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SP/8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TKl7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2T6kvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4Ikpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PScdP6s+b78xJQo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBaRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "+Y2BP4OBoD0FSM89bfI9PhkZhr+psAg/SOoBPyZwjT+2wu++nPSKv8jthb+Zkb4+SetbvwEWkz+axS2/D1vSv2WmjT2/+m6+RJRLPxnpBcCmS44/9mTpPS+KL8COSKs/cVoUQPoCz7xkUKo+Sue1v/kNCEBKIKC/jbcuQIceST8dpKK7JlEbwClh/D8mTai/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b038e2c621b21d23d59931c1a30c2db1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+W3qww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jNaBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KqzUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "A1cZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+vJiP9L7Fj8bKma+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBaRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "vDeBP5e6GD4vjJ6+PsU0PepogL+2pP2+c8Cvv0MxDL+eff+++RvQPuiAB8AYfUq/vE9nP/vZjD/58As/Ww8QvgqXmj/LBrc/QDj6v6jnrz7TBWg+hU8CQCAM3T16YZO/vJz9v36zgL/4sqO/K8Kyv1wjZz8NRKo/f/v/Pb6W2j8F8hZAIG8lQKucYz/FdHq/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4f1d885ca49c0c2dd5b722df92361d61
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HoLLww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+Pp6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QWTRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2EgSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UgoKQGSSkb6/1D+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABbRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "BzD5PoawwD3g/O+9yFDRvtp2V7/8f/m+tALOv9FGO7/J7uw8rycbPvTLmT+76hc/mdX2vx55hT5NXlY/XmviP+fL87xmr/O+JmuHv5E3oD/jiYc/uSwXQJ7rPj8wPWK+rhwTQIJMjb8TSKa/lBnaP+E0AMC3eZK/3VARQANJWb8ASxfAEkFVQPVApr+EDoG/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eefcccc252d0da5d6d8cde056929794e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BEzRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8utnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KGVSvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qFIzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4KEYvyIaPT/ttlO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBdRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "JGkqP3RYPz45cR29mojQvpO3DL/qauI+KngvPrw1hD/1a3O/4KqXv254ZT/NPI2/VhvGv86pBr4bDUm+w2kiwNWmBr+bz8i8zaSDP1j87D8wD8e/uI83vkMkx79Ma7k/O5hkP03G678Bwfg/KWiPv6WFBMB3L98/Wjv1P/Dz1z/4AJu/xujnvxjmuj866uK/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cb70f4fe6f2f3ca5728db1ec9601e126
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G4boww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Im+Bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wHrcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5KAUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "x2h9vmiRG8CJtQi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBdRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "thcbP1QGwz7pqVi+u2csvhODoT8Wf94+L+uqPtmHZr89ada+v81Yv1Otor+TWMU9Q6rXv62D3r5cgEM/8BSpv3nfTz+IOWo/Fqb2P1c5Wz953UW/CgYfQMB7KD0/lKO/O2YVQD61/T/gBTC/rdmfv07CIsBb0iu927Uqv5nkTMBtpAe/cZwIwHPINMDw764+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 754471b32237e4041641f9c9dd65febe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O1TPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "y9dFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TBjtvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SpeevQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yTwaP3vaqT93FfI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBdRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "K10EP1pdjT4wGDu8bdUjv9eNRj89kgk/35YCPzO6fL8Howu/nCc8vyWdu7/mw+6+iv22v+4Xfr6Fnqo+mfbGP0l5hT9pwhy90NkrwNjGib40CC4/rMAxQOjIAT+eiBu/vn4mQAXuTj4QqNG/FgxHQJXfs75Fy828QXpfQAyiqT+lVwy/7oA6wElvEz/xFo0/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9466b7a11bf047b12cb1c58f89e58501
username: gastegger
key_value_pairs: {}
data:
  {"energy": "b868ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dOqCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Up4Jvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LG34vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "srqtv+6xdD4sn6W9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABeRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "zCt0P5qWGr5y9rU9G7Eivt0N274bo2m//vu9v26qLT1wZQW/oGDWvwleLD9b6CY/m30SPhjwhL9iw/+/uMoqv1wQcT+DDsw/AE8xvwuBlL9BEyXAHJ4HP9GBED8Ipqo/UAMHQANE8r66jZ+9HCAUwO8/BL6uoJm/qiAqwPELgz9vQXI/u1ipP8PeQz/0awNA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eb5955b03bc47eb9607f78ab2464fc94
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ot3Xww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gLqBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "p3TQvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rDobvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+u3rOxQiYLyppL6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBeRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Lu4ZP6VCWz7whU28G5Udv+pJOr6grj0/WdnPv5kyFr+LrQK+0Y3Jv96cJL8Nqru/1DpDvz5jML7jEvk/NvEfwLHJYL8Ys5Q+1rQpP7GbKD5iqai/hx7cPxxvKD/9kT0/F4vivuEZib451f6/3TTBvvy7m74ukkTA0yQqQNZNhD/qVbI/MTRfQE//rj/VN/w/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9a12be00afc7858615280077860fdcd1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "l3Tqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CYt6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "scQDvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sIztvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "05+tPz+Rsz/ud6A/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBeRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "d8RyP+8l275jij6+LJ30vkddRr8+myi/1E2rv2yOjT5Yplc8/V5Jv+R51r/qqbG/aTIGvzCRkT9rKUk/REEmwGPmrD5N8/+9xGY5P2ZJRT/iHTE/tZ49wIQBkD8/bdY+yHThP7bkrT+lqKU/j+0rQEPgfT/70pE/gwIAQOpEdb9R4d6+odXQP822CkC3iPA/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e68e5051f50327634db77126d448e6af
username: gastegger
key_value_pairs: {}
data:
  {"energy": "b/bVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "boaDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xqPUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+bocvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "L4s5P8U4/73HY8a9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBfRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "TRY2P2OT6zyPLKq9G7oWv9mnCL8SxfU8qUx4P+BbrD+ILWK8RqPKP7lbgL/I4Ie+XHdKvYztBkCW0yk+oLKmv/wRyD8haow+JpnPv6colT70VV0+csIJv/BW7L9nb5q9wQcGwAN1EkCVAdk+j8ZIPyNwCMD55YK+QBEpQMqbWL9VQcO+RQSPP3bHScDR9r6+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6ab421f86054b5a143b4fe69b8d3117a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "h3joww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "X7OUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vCTuvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YFQyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Xi4SP9jwHL9RMe6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBgRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "c4mOPyV1C7yrNQs+Zr8/PkFVkz8cAvK9F1qMv5f1Sz/ubPC+FGE1P/gIoL/oGxW/T6rev6skN74eO/c+cIzgvtiS579+CgS/DOGrv7M3qr/7odE+5yoKQGSU/T2Eslg/CxAbP/SrFUCZ5Bm+iE+3P+Ss27+RF6C/nWUlvlMjP0CCEq++cdosQCrQPr8LPV4/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 49c15bc0d1ec189fa34ffdb2adce28c3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0U3sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UbyCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vtrRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Q4scvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yO9NP+Z06T79ak4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBhRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "CvHJPke5Jj6bKBO+QpKJv/7cODyqyLW+9EREP22akD5thYs/o+6fP4LXaT6KJqO/LmvMv1GuKz5n97e/Y8b/v9IU0L7aL00/Hh/7P2F6jD6OiA/AsBTZv2pkk79rs9g/7fQGQLpU9j58PZw/5skOQELECj8cTQtAHelBwOKH1rwKJSU/Mv8lQCscoj71O0bA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5ccc11efcc0facbaf3ba5d7485dd29ef
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mgz7ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "b56Cvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+8zZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YFYYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "syT0P4V3mb7DDXi9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBiRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "2tZRP6+19j156jm7IcATPuKCpT/V+lw9GyaLv4BRnz9SEqs+GBvXv11SN70r/tA+NgDIPvrZfb+o1yI/MvcOQP/1HT5nX9C+u+NWv+AIib/LJGs/wnwhQLMzmj+Flcm+R7c0wMGgeb5cNtc9+EkyQE0Z0r6efLM+AiMbQJtiqL4WCdm/kt8YQF1epb+oZ9e/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bb520206839f3e44e424f5d9cdef5796
username: gastegger
key_value_pairs: {}
data:
  {"energy": "puzlww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Q3N9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ne/YvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qPsQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6MHJvwA63D78xge/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABjRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAkAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ksFWP1YrrDw7joi+LKmxvlkzVr6i1pq/w7RKPgmh6T7ke4o/cIMAQKT74b0vU/y+yMekv5DDIz8yuUw/boKpv2wJKD/lVCu/vbpHP4epGD/5vQdAZInsv8fvQb6Hv6A/4mwPwGuhGz/VuIu/22XTvzAGyj+NlZw/UjIOvlJOm7xv2RDAtZUuv4w6yb/DL4u/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 266a08b2a29e0ba2c3a75e5cd95caa09
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pXXqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jbR0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QC8Mvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mgrRvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "u9C0v/W++b+rzzU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBjRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "S4ibP6qkkrx7Jwi/QpJ3PvHJjz+FNCm+1Ut4v/SgQT9O5MY+Vho4Pxq0s7+aDoC+bMYTQMbRID7hsoG/1XrYvkQM07/5mYc+Q/Kcvw2SAb+QqhA/Kn0QP5tdEUAvc72+GlcZwM4+Yr/WXI0/4YBEwL51Or6oHq4/ifMlwAhJ7r8+RZ0/+EWxPwW6DsCBTwG/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b14e34f477d080ae4a98e2d775fc3b7b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BvD+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IlVkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "C5eVvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nIkZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ls8yPmDIKr+pE7i/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBjRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "yl9+P4hySb5pbw0+8gT7PghVDr/zFn6/4mtXv0Renr7QpZu/uaRsPjQi8T7y5Zw/GuIRQPNnz76Mr9g+t+bOv+nhlD4GHpW+JHWKvzT4Kz98h2g/53IrQEgPV78JD7C+RlWrv1TaMr/vaRrAbp4qwF7eBD9so8e+kQEcv7qDjL/RxDnAvsgsP83vUD8iXBJA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9633c7e83b7afbad834ef61e0752063c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AF7Pww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6BKGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "w0YJvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Dd8Cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "clCSPhNm+r4u5wK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBkRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "EeyAP3LhKj34uIM+vFrFvkdtOj86ad4+3FSFP3DTo789MPu+lG/8P0ihJD/PhiY/RXjJv12YDr5jcZw+kAEAv/oj8j+OXzY/uTEfwCyKV78Z40Q+KJzmPopbAsDixQY9rIMEP1+3kL9ILOy/+BwFQF5Oz7/xRgS/LEFnP8wDqb7GPhXAr3n8vnDUjL8EUvG/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 634c46e31e9176f9abbf64ffda470e1f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nMq8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2BB8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VrjFvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rTQZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9+SBPy6tBj7qsmg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBkRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Ql25P1cyVz4L49C7Z+b2Pmn5kT4Hi46/bm2UPzuVXL7OCp8/RIEdQCUBAj8xroa+8lZrv2gjIz/2rze/+CJQP3GMhD6fNRLA7UPRvx9hiD5RMZA+G9ixv8NErT/MNbK/J4Slv6oqLL/JvZk/Ss28vUErTL+V/9U/B+z7P+Ayh74syvs/aJzFvMRevr/u0yBA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5e0dc6b8e20a5783baff6211d7b73519
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wcMBxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "W+mNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "M28Fvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "g2MWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qfYhPyqRRD2WJkW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBlRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "r/c1P6pCDb7d/bC9KkD/vv78Mb/OQ8g+QiSKP4sQhz+SkD+/LxveP7zYdr8/Yas+mDSNP9Eq8r8a14A/Lqjev2mDbb78e8o9lbOkPlP2BUA1Jme/DmmHvv67478gjog/6JsHQKoGij+VT4a/P+bQP4wlLcDviL0/mZBUv1Ci1j/69mG+Iy6zvyGeTj+4c2S/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 36c7657470d097757c9264fbc398560c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "I+/+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yLNbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UTOkvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IJoJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2LYQP091CD/WVqw9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBmRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "uWN8P/GyLjysOa+9f7ChPnPljr8bsaC+4VClPoIplD8vAok+wMOBvwSZkj+cq8Q+pSCOv1gwmr/s7lW+OObZv3+Fbj2Rbys+mAIywEAYqT1YQYo+wxuBPx2sE0C/KAA/55uyPmRSPkBn9Do/2agTQGlVmr2lmGe+EIXPv3L9EMC7yN6+QgEiQKoke78CPfa+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4b4a8d8bc971aa4d09205d3caeb98452
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DWjqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5KCMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mGsRvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MNYHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ITzaPGxDxbt06o4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABnRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "SViVPwRTxL3G6Pa93GRQPjoGkz9SX/O9TxOUv7ribD9W4g0/5+ELPwRgC0DQ5B+/AmUuPxhdpb+24Sc/hxERQFBAtrxFsRm/Y0YFv7mi27/eDjg/b5O+v5sZpL8v6jW+3EDwv0P+0L3fR2C+0a9+v81fHz/mccw/biS2P28O5L/2r6Q/v8ndv1N77D/MogM/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cb3d8106ea348cfb802ebcb9c530d209
username: gastegger
key_value_pairs: {}
data:
  {"energy": "T97Xww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "04OCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HlHhvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "F18Uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VtSQPpp3nDwXt9G7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBnRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "S7JAP6/5lz0L96a7r1kovz/b2D6v7YI+SfqBP1Bji7+H7B2/yYvTv93zrr78L6O93SAQv2562T8KWmc/BVdHPz0c+j9UoXQ/JhKqvV1k6b+9722/ysfNP7tdcj+obcg+DFWov+Gow78k+DS/YHuhPyPrNEBX2K8/niCwvwzAE0DgjKE/JEo8PhoIMMDMyrW/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 86f858ea9b497e25083dcf18f21cddc1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WVzPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FVSMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UgravQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AaMrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "E2ZKPx13yr7yDBq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBoRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "3LZlP4iDoj6NwgA+OdwFvwyt7D4QoT++ayqSv7Syl740WGy/tW2bvzvvyD957vY+qKSvP3t4jj8aRDA/owSsP4G9lL+Agpw+4/vhP67b0r6Y0FS/GVvfv/W3HECy+oE/OsXuPhS7DMBBq24+/a+Hviux+b/Cabi+X0wGQNw7q79DfIg/NuicP/yQLL9rIdS/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 735ae3015461049cf892e6c7e5986f94
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z/LVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XVKNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "V2DIvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jnQ2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "za/muWa92L1RZo8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBpRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "+XaDPy5OqLxAWDi84yzNPXT2jT6wsJm/SRumv0wCsz77O12/i1UwP0r/OT6imaw/8mQMQL3b1b6eKqu+AF0wQPxdEL8xtwE/Btz1Puep/T5jNhjAsmDQvi+Csb0yPPk/lvXMv4cCGr9Q/6w/S/m/P7Ak0D6pHRrABQbKv8YELr6x3UU+Uibzvo2aWT04ekFA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f4c70c1f2445b71c90152b24f0750660
username: gastegger
key_value_pairs: {}
data:
  {"energy": "j3Xqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2uOFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HJnnvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JvsXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UaUCQPwAGECBCVw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBqRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "x9JNP3Al9bwkzlk9SeZJvlreSb9lq0m+mXwtPzpapz848rk+K3AYv7zi5T+DQQo/v08OQKQeDr/EWks9U1fTv+ZYjj9AEp8+Wo0/QFOsYT41A40+rYa/vxgOTb7dtWK+LwchQKDi2L9gsi++aCcpv99rNEARRmg/B0G+Pxfv7z9P3RE/Cs0bwFdETb+uPCy/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cec9c0db9b489ed08c9a493360b9bd6c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9vLVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jPeDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "L/rqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AHISvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "idKOvni0wT54CwS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBqRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "8oIGP9Dq+L69dng++qj6voAsl7/p/vO9j/iovy7GLr+x4I+/8WxZP68HST+bxWy+sk+5PywNh79V3Jk/bObdvzS9Aj+SB6m/18oOQLRzu7/tYvk/izTYv4Rju7/N6OS/A8mmv58/xj9fn/2+w/cdvmGN5D8kkjw8XUcDwGMdFECe9Jq+tJTbP/dckT89vSE+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3631016263cee3d755f993e1acf76f16
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G8HZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "81qBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0LSkvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "flswvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QE2pvyMtJb/wp4Y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBqRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Y0ejP2Rcij6IwGM+AHU8PpKKJz9k102/5siQv99XNz6wnES/zxL4vy3AIr9c8Qy9MBLSv5SZrL/Cjok/lDU6P8bMHb+jmJY/ZPybvnDml7+hprw/DhEZwEDX+r9uHMc/eVg7wFwrJb96Tfa+OPQcQCAbPT8WxAI+8+gfQCFkrT9MYjC/oA/fPud2sz/73dm/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f1768b30c9318f780c0f551f3d585f70
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yv3jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4fFtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ATV1vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oaQwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "x0tHP2GJZz77lok+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMBrRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAJAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "byA+P0gSzL6+AZY+t+jQPWd9wr/pqJs+Bcmav75puL+uwk2+9AvCPW+IUT/gAGq+8kkBQDLdm76YN0s/AFySv+dWdD9Amrm+ThXvvxETZL7iDs09rsZvP1Bw5T8SZha/BDYCwICtAr5y4pc/uQ81wMjGk75mLNK+vNAlQCM71z7QicU+9WsfQIo5mL+xxGs/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 78fc8e4140d2ded47b2b03732ade9ba1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "07cDxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GJeCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zosDvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YqIBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BP/Xv4eKgb+JDDu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBsRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "pDY+P0Cuh7up8+48UyQzPiD+eL/ZhyG/0tSWv7Ucgb99Lza/3BQPO92riT+FGjU/P9H4vwyYYb3y4u+9CQILQJnoEj1X0+o9Mivfv0VdAcCsXbO/xepUQFJrjT2VsTg+kJODv6kLJcCy392/oAewv+/xcz8vmhE/xqXsPk/F/j9L/qk//4tBwOg9kLwULg2+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e4e0de2e74a1c0b350cfc00715f2a4a4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HPHVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "t9SBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wjXXvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jQ4Yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/G/lv3mvtj+220Y/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBuRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "KJVBPx/rqrwiWIk8zA8XvxJ6BT+V4JI+GYfKv+Chcb6fSE2+vS3Xvros2D+8NHw/loKAP1Bp5D/WWYw/yvKTvz1BGEAU064/xMxvP1N7kb+pVyO/N7uvv6WHsb9QBmC/DnHaP0i5Sz8afwk/sTgxvueQ5r8hi4m/fhIkwCii8buxwdW95P3CPw0UJkCWYsw/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e6c4d132d200daef7d1e196ec6ea0051
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8cLZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JNWPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7dPxvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UsAmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YTdMPzD18774iKg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBuRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "PZnuPqoi1T55EFc+L3dmv/sOIb31tqO+yCj1v7HNxzyenqU+ldKiPogYWz9GbNc/MIhAPbhyEz2lChhATSMBP+Pb/T8LsQJAkylnv7z+DL8Hidm/JtZFPyzypT8C0b2+7M5rv/gOZr+GXDPA/Sm5Py1vJr8iia89vaQNQHcQyb/QfZu7QC86QN7jF8DYEIu9", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f5fd0b6b262db05dad19da7051320290
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CHfNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cVdfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XylLvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GY0svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5DEzPxzObD//PrO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABvRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "R3dhP1Vz8ToEl9M9+0SUvnyoXL8dWr8+tVFKP81flz+BA+++U37ovvSNyD8D30u/mJjKv3K2bT/YcyC/L44EQFk1/76dmvY+HXQEv3BEHkCrt52/EXoDQDVatL9dz2k/BGfCv9MzhL4BSmu9Qkw7QLXhFzz4NLI+U4UbviY0+78BPmk/QlQdwFTwR78U8aI9", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 810b4766787a482f571fa3534e8edff3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zOf+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "M4yDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Uiz3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PYILvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9n/Kv4C3rD988rA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBvRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "hKQsP351h73ElSQ+1Tsjv33bHz+ALUA+HPnNv0uSUL40zR2/4hWCvzZ02z9PYj4/iy5ev7w/rL/IsYq/GYq3vN9MFkBNv7c/hnXdPlPRqr+ZWy+/2avtvrhySEDKkOQ/YPXcP1SOcD4wNCk/xQ+cP7TpC8DkXXe/wPkcwFuHD78vUqC8QsL/vxxqqz6kFb6/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e7349c4ba264a9015ec23ce2e25a813e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XPXVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "g/Z6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vHXevQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pbsLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cT1Kvg6EJL5ihPA8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABwRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "qc4uP4tVQLrNPVI93oIhvyvM9T7BQzm+0rZ1P6hdo79A19o+JLQ0vUoGA8Cz5xA/VabUv6F4u76FsL68kpPqvvTX5j/lMQm/yPOpv1qIyb872qw+gMzEP3Pqgz+CCi++7rcGwOQqFMAvK/g+RVZePyp4B0A35AW/kskmQOWEbj9AhIG9WRqcv3txIUDA8kq/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 236fa909575a3158142420852b9d91b7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6XwAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8xt2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xeWYvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EKkpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Vg5FP6lqgjy1Nzg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBwRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "03+JPwcSwD7+53c+Rq7nPqg3vj+0Yo0912XkPlWEbb97QQI+xX1av3CTf7+C0DO+FpFnvy9Ntj96Jn2+xQPNv+WnaT4kAcO+6XmaP/XZ/r93O6o+SmkYQAZQyD57RAw/Hpc1wLawbz7Beyu/OM1LwKgamD8TMEa/5dewvyPY9787R42+bxkqQM7DqD8XBxc/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 29d4e60580ef87be0e926b5f7e6cc2e2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JVC0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kWGFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uJWevQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Rng7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JXXyPvZ6Hz/F/q4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABxRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "W5BeP8h2Mr5A+b+9/vsPv9QKZ77dGBe/DkVWP/X38D612KM/j80hv05HYz8317g/+L2vv4YDrz52Gqg+u2V+v7osN7+oBta/467oPxuAFr9vNzW/+KqTP61mh77TnwFArsLEP1xKpz/E5qk/LJVFvh8hi781DwzA2rNCv+iR/D+c9LY/v16Lv+P9/j7FwhZA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8144da4361aa36d49ca42630f119637b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mVzPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qACAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5E7pvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3lkLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2qyGv0X19j5wsdI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBxRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "JoknPxZ1Jz5l/+2+pVCCvjMLDj5BakY/kSe+v8/ffj9Q60U/NGf6v+iHtD85uai+MpT2v3i5kT/fK+I//BIRPZ3rCb8Nn94/yH2IP0HPkb9ng4y/MNtkP+HXE8CqziO/9KHXPq1YEsBHUok+pYOKPylFnD/O112/KBDLP9Qff7+SKgPAEfE0wA7c9j8Bk0a+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2df5c2b57547beab8a2cbc8048ace7f1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lVbsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OWJ9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "u9EHvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/CDrvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uJJFv8i1obwjSks/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMByRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "uZJGP6WfYj7v4Bu+CT0+viQCQb9uavY+OSwgvruFqD/Y0zu/O9TCv1mUSj9gPdi+msYjPoSlFUAMTaS/S4HEv9Lmp76NRFQ+rSocwCIepT9KQDm/k7n8P5GWPD5liUK+tPvvPYXJxL9LnNg/NjWKPRoRCcCCj88+m/CNPxwfub8UUghAckg1v8H6478i2RZA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d53f44ecfc6bce8163b2b33cb5e11ec8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BbzZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AHB8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "em/MvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QzgWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Hayfv060Wz+LN1I/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABzRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "WIaDP4Jvsrx9YQ2//4ZXu8vMhT+9Hyq/iA1DPicEhr/D6qk+XPSbv49OAL+SwNg+TfwLQNqM+b0H71K/Tvutv8uR4D5U5jW/wUXCvwsvfj/XZCo/AsSCvjwi4T/cWfU+yoCuPm/DGUBXMI4/okcZP/bGBcB3nkE/c0EBwGygmr9CrR4/z84ewMdcpD93r4k/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5056877215748301f9008c04a3934635
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wnfNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+DVyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Xi6CvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yR4xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uB6Nv8FuYD/GhQO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBzRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "x+emPyaKOL52+EW+5/7UPuinZj9THPS+bZMbP0Bpob8fNNY+3GEuvyXnq79iOzk/Wz5pvwzpRj8AVRa+A3tRPw0e5T/LI3K/iwMgQO7/j77bhcu+OECTP70mBcCROCk/cfC4v/3YuL5LXOo+DlrtvxS03D8rabq+LG/Qv10lJ0BX+EW/APoywMzVxD9YF4u9", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5887b509911ab9b6eabd3faad9d241bc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jFLPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kZuBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gqnmvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YeIPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "86tJv3NLK71yxDo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIB1RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "fdNGPyNgUr4lFSi+Abkmv+fSA78Pn2k+EsWnP9ab1T0o+z4/JXuhP2kRkb8ONPi+AE/Pv0iz9j3jmQK+QLpev0Dv27+NAJQ/kBptPxZeSj9Lf52/xbRgPpMi/j99t4G/oH7KPDFBG8Ac/MQ/LbH3v2937r+iVbc/I4utP0YnEUDhAhm/ioZGv41+GEBQC5S/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9dd4b67285188a3bafeee9d6e95ffb6f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "bMW8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rP9Tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qcJfvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ag8cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JEV8v8l2Pr8pefW9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIB2RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "LhS0P8750bwgiBg/AK4rP1L/kr8eQjU//gYCv8xWwL9DYVQ/rF5BP1jjfT9Pqy++cB4aQIQQZL1MEek+QC0jv5ULTj+w8y6/LXSxPxC9/T+YiO6+uQXNvwHdHL7maCW/XGDNvyRur7+bgNI8RzwgwGbQ2r8BZaw+uRNlv57e1T8uN6S/7KchwKyNHT3745e/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5dacba3507565b5daf53fc1c47fa13c2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DVXTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ADs3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gT5RvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YOsCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "znADPnIzJL91k2C/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMB3RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAJAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "M0poP+hgVT16VnY+Y5+KvcQ86L7iPCe/D8Wwv00ZIr71f/S+Zlzkv93EGj8XgQY/uUKZPmJTnr9Mfdi/ANsKwLsZBL8uSJC/OuEGP0uHYD8J06o/+9EMQMtmg76ehjE9818gQPLAVr/O4ze/Oz1OvzcsjD/K07I/NFA3QMiw9j1jlTM/pR+qv88m2D8s2ghA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 56918283d5263e8215bb7b862c433c01
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uXTqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lzuLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "H4LKvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HjYxvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1XiZPi0mxj6FtlQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB4RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "FLabP/9IRD7wt7m9LFWyPsHX3T71y2w/SuFdv4lcdT3w7Q4/gFktvzx40L6iozS/MigXP56lrr6+ZJG/2nQNQJfvvj4NEdO9uq5EP9Gigj+oIw1A7/3lv+N3cL/DIsK/h/owwMP7Z7/JYnq/y69CvQBklD/w/jtAjbf1PwpZqT/HNRtA3snXv/2urr+04CjA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5a648e6d449fc9b33711d3c2250ebae6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3N66ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AACAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Oxy9vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4nEhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aMsZPzI9gT7AeIY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIB4RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "wfCXPwmNYT7aOpo9OlvePtrtKT9NZ5C/ZcW2Pqukwj7U2aY/zHMbQHm6b72Af9I8o3tTv1d5oL2z77s/4UlEv8n0sD4btbm/chNMPxOidj+HewdAzWK6vx0wTb/dTu8+5lIzQFUweb7XO3Y/sIC6v54DJb9LcFC/G8IHwDHmyb+n8FY/FtltP1xCsz9kOuG/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1ed8b6e8f47cb2e39d98d855f908658b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LXXNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CoKHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YY3TvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZD0lvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "euTfPjAqqT3BizY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB5RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Jg0yP1RWG75t3bs+l8xyPUZ6tb5J4GS/psMVPpDz6j7MErQ/802Gv3gLaj9WAKc/x6EDQNSCJb+i5Qs/lxKdv7CIGT5PC3e/eObXv+FDOz/3Acc99CInPyLDbL/UdeO/rYUswP2JkT/tuYs9TtcEQArX3L+HhsM+rU8XQNU/zL5svMc/NKItQMEiN775HkK+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cd805ca19481a3d7674185d5d1e26875
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7mTPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/8qCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "E9XbvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dKsXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xr8VQLCslL6PcMq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIB5RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "S02KPxyL3jxLcUK+Ff7iveeJOz9sQnG8x6aTvyFl1L6cOmI+LB+DvnlW9j/y4ji9AjZHP1lvqL8eFZm9iy0YQAfMHz9Nq+O+BRMPQABN2j+r2vC+sqrnvjEt0r8NOx8+vu3JP13cAsBREDm+5rYUwOppgL6W/NU+ke0xQMVIlj4r77O/XIpFQCmFwD4jCrM+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fe4264f505afd1d69ef032ea063c1688
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FILoww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WWqFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rpoHvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BDoDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Ci4Wv8yXFz3EzhS9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIB6RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ILgAPywFar2cpxE86PYYv5dASb9N/fO+z4e7PitYnT8fI8k+D5lYv2ZX1D/UcPI+IzD/v4QJXD9NzMM+pn7vv0TQp74Ia9S8gqzjvjwJ5r9lGJ2/5j2tv06xDsDn37K/deeAvzBnLEBAjj4/TFPnP/iwIr+KWaE92xriP6P62L84ulG+kLAxQDjcmrxh0tA+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3c7c6907be4e503c8b5e8aeeb383f731
username: gastegger
key_value_pairs: {}
data:
  {"energy": "l37oww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zVqCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mrTpvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TdsPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XmjSv1d41z4S2lK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEB7RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "zRqGPz3WjT3ga6U9Ha0IPjlIVT+QUly/38qcv69+MT+eFAm/NDHlv5PyBz4pAQ4/a2rrv+rEsD+Yj3O/kkilvwa1Zr8jGJM/dzCLvqy04L/q4TQ/aZxBP+6iq7+cZAY+qs7+P91ICj8YxyU/Z+QfPxjjwD9RJ+i/HgTvv7+lpb8lRv0/69Ouvb909z8zaRrA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2fb672a56228121f51c2c5da990c6f64
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ouvhww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XAB6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sHbUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BMUPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IsOmv9hknb87qjo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIB7RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "SsZIP58Jnz7BGjy93oeOviwJO79lBga9enu1PqP15D+rPfs81LG/vzsrn75cit09H1Q7v+cO/T9w2nc9ipgXwB6cs7+Lvgs+RM1OwGD+fb9tRYM+j+uWP1R8KkARslc9HQ76PwkOkbtG2N69IjEEPjbdAMDJjjS+92SPPzB5C8AkTtW9QHIEv49MMMC/Cv88", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 57e568e11150aecbe256477082e47a13
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YJDmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "U8uGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UYQEvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VRIJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5WEBPznunL9xWjA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMB8RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "HPv/PomCyr0I9FS96zohv2b4Zr+l0oY99ZC+PhwTnj+gPJC+7/XivwFHR74X8Qc/c1jnP3c0Kb9QAZm9r7Y/v+th5D+eATa+N4Hsvzw7hT+f3tA+1xwdvyFwCcAyhiq+Ys3DvzXSIsDOfz09zUbgP3mG3r+usJc9u5Q0QDF1hj1kFHy+TbJqQIuRAL+J42G+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 631c3546469155494038142a6fa077bb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1IPoww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UI2Hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/tPtvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oTAYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "j40gP/CiF7+JtXg9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIB9RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "eLE+P7aS+T0szIO99tuAvZyijz9pvNW9hj61v+oxRT/OeQq+86SgPro0lr8UmzO8gHYOQHZQsD6W7Oq8dU8hQEQutD8AKp29SUFAQNVQE78Z4SQ97wR1v849uL/Zye4+Oel7P8o59b9sjg8+7kDkv/AlAb8JaeM+AO8SwDY5xj9K7xy/MMhNwBWGjj+loQO/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ab05cadb30bea340782d7d4f8fe960cb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "I7q+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZOlzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Wg3JvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "t2IPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4BCav1dDWr9lqrA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIB/RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "gaQ3P0GXST53yYU8F5mpvsyJpj7D3ZC/Fi6CvGBr3r41lZQ/fQzKv64ZcL70XhO/lzP/vSpVSj9leg7AJFnvPwBACj+p1vW8yj2xv6OOJr/qUTI/ZYAHP93sN78yMBZAVnjJP7Nr+r73uyFAJSYgwDghlL4NWJG/2g4VvbuWlr8Lp0lA5l8JwG+zjL8Xmak/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 617475d3b8febc4a5244346cc1817593
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vNrXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ja2Avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "S3jivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JB4Qvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zhlZv5Nv4j+bj4s+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACCBRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "iHahPx49bT1r7Ni9prP9PaRhfr9xj6u9m2A3PzlpsT+v1bg9/H2JvzjsNL8bXD2/Dv/3v8PQRD7ZMdu+02MdQFTmbL6+Iq2+Tw/TvqvWvz8fqwU/2aPav97QnT9lIRc/UYo4wEzYSD5FP3m/ZcNEQNWiFD+yIpC+lTeePrRlAsCVqfw+POIcwEXf0j8MLqA/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a1e7555cdb660bb96b14cd32a8f280e7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Nk7www==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mWN5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "p1wBvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5A3wvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uOQwPzLJEL/D0/s+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AECBRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAkAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "oBCBPxtiyb5+/KC9V3p7PpfryL0/sJi/Z/G5PmEPXL3C8Zc/dV+OvwFbdD5BMpK/fUXfvzu6K76tzRU+Q5h3v6HTDb5un5w/5hwSQLtMQ7+biXO+JBAuwLy8I79xIZQ9suyPP7cH9D6JwAhAzXzRv6/7JD+CvgjAeokuQIyrWL/cTJy/k1A5QEVRcr+ZWCI/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a48c76399dbe988a6daf8e0ff7802527
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HHnNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GT1nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pz2FvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Rp4kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "priavk563z15Hsw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICBRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "JqOVP6/zDj8bJ/S92mzfPuB8wT6j05m/ySkzPwiZOT60MJM/6aQYQB6bkD+jf32+VQtDvzDQQL7LGYy/q56Vv5xKD78lVQA+s04gQBROqD8jV5i/R3r2vgNlxL5PU6M/vfEXwBMXmr/C9lg+8/g+wGHRjb9sdhW/m8KlPxqbtD7wvgJATcszwPQFm7+TS48/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 84cfe95289144cf42ce8dbab2ee00276
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tN7Xww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7bmMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dxHmvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Hmsmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "J6CVv6LRfb73AUi9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKCBRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "wMsyP9DvJD0kb+E9hPIUv54J6z7QPuy+T+rWv6BOi74xWQi+1c5SP/wpgL+ZuGo/jv6rvgYcxz9PEp6/9up5P0/Z2j/wIou/5e3VP66eUj+3QJC+3GLBP3DIIEC6d8q/l8W3v/y3r7+b6z0/lZSXvg//37+KgaA/dS8QwJXaAMCLeoc/T2crwDhNdr05ePy+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4f47bbc826c423cc98996ec2b5d0843b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tW7uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3q+Kvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jPMHvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MGwNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "u2G7vmxbVD5aZPu9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKCCRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAkAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "a9mCP2aB+b3JiU++tRGwPhrwOj9y5nu/aMWwPmP4V7/+XWM/EvOKv6nScz+5lEO/jGLjvzopjT6Zmow+ixkUQJ4guL6gAri+puyOv9Z8CL92hoE//Bbbv/2J4j9YNsO/1BhlP8R10L/JVtE/bKBRP+MDoz8iVOW/XGzQv0QqiL8na+g/KEYswJpi5j9gW52/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 26e25c0d4089a1c450a129d07174af5e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TXfqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fSKPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Nq/qvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "X+0ovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/G9lPtS3BL+Nf18+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACCDRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "6dhOP25pnT77K4o+85civt9RM7/pCMo9YUOhv3/gyr36kgK/03l9veQsA8BZteo+2ZL9PYuKxj9J6KC+FOGUvxKklD9VZUS/F8wHwAPsN7+Gijq/3RT5P16EGT46D0o/jX9oP8iyEcBtmGw/hdQeP2AiKUDfRbm+9CAcQI/8hT8XL0k/nIZzv8WONcBLZYg+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4dac2047de9c87f12aefa0e7a149dd16
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2YDoww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ileJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZAXfvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Yiwjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7+G+vxoXzj4VOt++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACERA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "MtiQP8x3Ir3Rrb682lr+PWC+DD41xJO/WEaZv31/g77jbEu/HxFSPwpGOT8ciIw/rjniv6nfJb+XPb8+PvXgv4I+Gb9XbMi/qj0HQIjBOL/zAhC+PqCwv2nxcr5x0r8/t7ycvrzGJj9J49c/CYL1Po2vAT/AtRPAld6Zvq8CGD8HnD3Aybr6vmsNpz/peCJA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c1fda76f912214c29bf8d18233210cf2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+H/oww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wr+Qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qwX2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rnwmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "swylv79Dkb5wd5I/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOCERA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "HQPjPkSon70zPjQ+7HpNvweoU74QClA/8srxvyQyCT5ntde9fYFkvyVQE7/q3wFAJmAUP1vkoT7Ze5C/CADVvvR5Fj/T9uq/CyPvvyX5HL9ylhRAlzLevzUzAD9QN6m/B9bVPwgnt7719l0/QA06wCwQkD0BjY4+3RC7PzIvKr+yE/M/VLEvQMhmhL5klbY+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b8702498df4d05766eb7562a97234316
username: gastegger
key_value_pairs: {}
data:
  {"energy": "k9Ofww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "36hVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fesDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AK40vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1la4v2+BxD60AkM9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICFRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "GDWCP1Neg75PskW+cj/oPUdMsD3DgKO/mdm5PjchTb5YqI8/Ik1fv/f14z1zaK0/Hq+Vv3A/0D4eVIC/QvfQv9zw0z6BspE+SwsQQGDNEb9vKc++F/QtQE+xRr/Fc/Y+u/7yvwZILD8vG+G/KbT2PnT9oj252xLAxXAlwHh5Jj9B0QA/qJFzP7fs4L6aXQBA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a4a176417f62155d2040003ac6a6b8dc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "o13Pww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4dB7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PiScvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wr4tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0lIZvryuBz+alCq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOCFRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "paaaPxytnz1bKcM+mQRevgE6iz6ZewA9oAhbv0EGoj/n46E+FWJfv8kRY78kUUC/yut3vjQZ8L94noq/u1ELwONFJ78UDIG//sYlwKSQUj7oli6/tC4uwLrgqr+mEcG//fvTPxnUX7/ZJgM+co/UP0R8Oz/drt0/9R4CQNkboD9kSyo/1g4nQNtNBUBm+ZE+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b51272e6d21143d55207e9c08e66aef0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "92vqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "saSEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Gqb2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VfYNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2o/UvohGCUDYgfM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AECGRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "bpDmPn8Z+T2VuT6+EHtuv/rhTb0OlVO917KOP0x4P79HtU+/KFbcvyWqVj9XPSU/jlOPv0h17T+vYpM/fdiGPxunoD/Oga8+vXqaPojKBECfFnw/MxDgvz3pIkAcndk/apoeP1w3+r8xyaa/GB4SP+nQ+r+jNBrApFrBPr1BO8DFBiK/3JdCPyDhPUBXS7Q/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7cdd601df06aa13b4993d61973180dec
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7nLqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mYSDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ptbbvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3x0Zvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mz3Qv3ZPgr8p7e2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOCGRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "bQoYP2cPWD2k5d+959gxv6Xqxz5Q4AY/B+PZv472774GUBU9jRM/Py8wZ79/iHy/sfO6v5O9t78lsV+/ttBxvwUfnz/J9as/5VCWvht+17/6vbK/o7btP1dHSj+2qU4+24MowCH3pL5RT9E+6HH6P8uo2j/adHk/E6EtQKEBxT7+Q8C+QIMTwIbFAsCKt5e/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9d1b00a6321775e729d1c57372b19d70
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kd7+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mWOJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "S+XtvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jNQbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hXelP0Ckoz+77ZK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOCIRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "kB9ePwHGNz3tlzi9euv7vnzrJb99u929zxHZv6gOhj47d+m+eoEdv4V26b9ER7o9tVO5v5Smpj+inD+/Sng0wPg2HL5Ec9O+dlOCP8cUlz8F+m0/GNqrPRkD2j+0ob0/1dAEQAotvj89VIs/PrHKP795Ij6gYKa/M8QAQMRVO78sh1K+fEgOQNOodj/J9J2/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5e742b7d2cf0b22b5e2a900c379b693e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "03nsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kq2Gvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MPXTvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jGAjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5bibv3ztiT7DDZg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGCJRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "5gNuPzt0eD6vXiE9nBB6PainwL6/mIs/NdSqv8r2Ej3Sh24/I/X2vxQqdj7Epoa+sRIbPzXYgr9E3AJAVaLMvTsGrL/VlS1ACwm+v7+vU75j2cC/aqmUvr7ykb6HjvG/9tI8P1u1qj5ZApu/ujQBQPhiTz/OTgY/4UT0v9bMSD66nes/Gko9wP7HFT82hpm+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8e54730e3af6ae7b34c4d3789c454df6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LWTPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "INGEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zAzbvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2hscvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8zy4vF97qj8pszG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACCKRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "1vMOP7BFaj53eeg99lqnvkW1aj+RniK/v83EvzZ9BT4aqzm/2kVDPtm1b7+jyRE/6xiRv9Pij7/XC9M9WeDzP5PAUD/RLMg+79/qvyQXBcDzSJs+ajUkQMKTNT7eb4A/7ikOQIJt8z8hafG83uHkv3nfGb6tTuC/Fs4TvoDq6j9ofYC/d7cZwLYRIT8XsI2+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6d48f23ea973107c6187c013b36c3a08
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pdzXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5SV/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GO6cvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2a4wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MBJavAiUwb9lAbO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACLRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "bgAXPy+fC77PRf47QXUSv4LuLT9JwP4+j1rov09Uuz5dS5e9b47sv08aFL/rOHO/Nkvfvvwaxj8ZLKo/jjL1Pj5dir9B0GK/xBtEv/rUpL+RjK2/IFkywAT4XL+va7a/sddWv6EiAcBPCAPAX4vwP5GAAj72Cgo/7Ws9QKp1vz6+6oA/7W96QPlUGD/eL7Y/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5e90eefe857dfd7434f8f6ee656deeed
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GvrVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MGaDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9kXCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Zaklvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/RN0P3E9ur7gSsa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKCLRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "hwdDP+ghQr6+AfA9jF04vuEJ5j3Lx20/cDcbP44ofL5tZaC/NmkFQNy0/b7VoBs/yTFKQLhwPr9NVnQ/44G7v+tazz7zEMQ+IwYnv1DNNz3h4N+/MhPTv//ytT5PZoK/9/IcwEDDNT/v8Y8/B04/vzGH27t6NzXA7F0JwKznMj8SRwZAWt+vP1eR/b5Nku2/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ca46ea8d471ce0b632397dd656ef8e8c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "w1/Pww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ps15vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QSybvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Hjcsvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "izLjv0Rurj+si4M/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACCMRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Wr5yP6MY3j0uOzc+uotavHS9gr9WOJy+NX6jv2LeIb9EBMI9f8OUPsGcAcB/w2W/atKGPc6/nD8wCik/G0wJQFCvFz05Eks+KA2pv50oNz+uRBM/fuNfv0gP2j8rrdG+1lQFwJpVdT8KHac/HVUFwEwGib/wtKe+fh7TPkf+8z9ukrY/OJ2Yv7PDKECsMxu+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 115e8f9fa25735ff2818ddfc3eefd4d8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "s4HLww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zm1Svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qdhYvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pDccvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qG9xP0t2RL+dLgu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AECMRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "P00KP6WktL0VRBM9ZLUUv2mCb7/isKA8dG7av9jgyr4y27o8LmHWvxJ/gT+xL769uyHXPu5WkT+pHTg/1xwzvztO1j9/zTg/pZolwMvyrj8Cxy8+1yXhP1Y9C78jUbO+jD/8P+5k3b+BU3m/K6onQJ3x0D0byl++FX+cP8MGGsBiI3a/QAA6QO7FBcCEzIS/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 163a91b7cac6c41ae03a244e4e4cdf27
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JOPVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "46eBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "H7y2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tvEnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JgGev6rxhj+bGys/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICMRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "xLZhPzdA8r7HFRe98KDSPVe/w76E16q/KDtGPqzXIb9qip4/jbMVv0yAhD3/B/I/0H0JQG26576lMgW9ImmVv28+nz/tvKc/Xp5mv4kXEz/zfHq/Dc3FPifGiL9LHBfApFcgQIb0/b6eJG0/2xShv2xunj+52G28dKyCvje2W794JkjAR47ov+Eb2D+7gfg/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1d0c9568a4523386d3ca98925f99c0b5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SXDNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JESBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lC69vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/vAjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "w/C1P8L6375S7VO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMCMRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "oGrGPmp1ir4tY+i9R44vv4wbh74efC8/UezAv4OaRT9E7B4/eWyjvzJX4j+eVFq+i/swP1T1Mj9uJ3u/+0isPwE1t7/uQIK9HCs9vhVt2D/e+Xu/AGCOvM5yIUCI9NS/E98VQI85gb/u2xo+G4qzPzSj678U5oq/Ef1vP0VHGMCBS2I/FgPGPxzQR8D+bVk/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 93f281648dbf7a7c2a4345c8de2e0275
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oG/qww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5xiAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ecvVvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EkwVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MzOzvQ4y+T+utgo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGCNRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "+iIOP/s+dL0T+AM+l6X8vuywa7/ltcq+CNrmvweWnr6+EhC/DNy4vh5+BcCB6zK/zjYCwEOeYz9em42+pv6Bv8uN1T+RUV4+TKl2PmmSnT9bB9c+ETJ5PynS9j9jgFA/XpD3P5FvDL8f27I+IQMGQK7ozb8InbA99vymvz5OJ0AKodM+wH00QHptID4EqUg/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f54d010575ed9e10e519b938b7322e2b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Onzoww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QPuJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6pLxvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Cy0bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jlgLP/Qyar/kLEy+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKCNRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "6KWWP8lPjr3ilDo8CFA+Pnq1Fz/WzXU/ymaQvxPUAr6rDYg/K9QXPwRnYb9YU32/hbzvPoeBxD8VctM/do8aQI28ZD0q838+eqP9vmng2L5YUuK/xTPuvxbOAr/n5789CpnLv3PYP76365u/IIakP2OGnL/zrNK/p1tAQI3P5b4oJdS+Yny8v8wFt753hwRA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fd0d96eab1dbaa8bbcb64ba1dbe31bf0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "c4Xsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "s9GRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1nH8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "e2olvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TInUvjfgc71SCjq9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMCNRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "3tJwP5le2j1kTxE+amGxPYU+Ob/CEoQ/5KYMP3IaQT/MqGC/r6MNQB5sHT6nm+8+YmSkv89MTb/Fnjc/GAPYvwudG76TuZ6+lBocPyhRqb9msAFAttQAvnZ767+CJiFA+ZhRv9gvKz+2L5e/vWQvwA9kQb4zmBW/D5Wtv3LroT9LLgvAfLMjvyA35T/WuCvA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eb2030a041e42b367afddc6bba6a7830
username: gastegger
key_value_pairs: {}
data:
  {"energy": "E2zNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VkaTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EvrZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "o485vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "E9UzP2r2YL47cL6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACPRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "8Q9ZPxmTAz4O9KI+euF2PhXvKz8Clag/OWIFPlWu4b6JQla/KaYVQAwqlD3dJKg+VIycv0vWqr5LPEu/ZQDvv9+5jj669ME+4bSVvxFgND/ofaQ/xyQuQEMICz/L0J0/p5RBP5Ohe78WH+a/wizkPfxeqb+j4SDATLkqQDkeeL9tqIo+3w8vQB/gED+7DhC/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9bc44ab8ea4fa5556b3914f23acf0f7c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "f7mhww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "f99fvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "e/hyvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YCEjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qZ83vp+Ox72vJUS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACCPRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "LSnHP1snvL2g1WY8NdiGPxqhG7/TqYk/6gqdvukJa79lV5I/KYdfP1uKjD5/95y/OKYoQDPanD3wPOM8yh/LvlPtLz930qa/9RW6Py+Vhz5/LQnA+/ydv85bWT9kUWi+Ly6rv/42k77vABM/jcUKvw9c4b/N0OQ/EmMXwAM5GL+9/zs/Nk1bv86WfD+8eA/A", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


