# systems

unique_id: e439c824a01945b3ec932a5e20881cf8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yrq7ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4KCVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YD/EvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ECJJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "a4LQP0Z8Z74NcQy+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABAQA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "Xm5aP1G51Dy/moi+RfvLvrc6HL56UZ4+yty3vzwUpz6312O9ETnQP6td6b6JPC8+kYulvpSWhb95bL4/B4WUvltR3r+XZBpAMx6UP9jUTj+bYbK/+9++Pt3euD+EPALA82kPQMfaQD/ADc6/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b2a5c8fc1f7c8dad2c7b5814993b9b98
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1jPQww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "S1iTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NdLyvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fEctvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0oyFvcUDyrzU1IK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACAQA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "9DpFvkjDQr7C1vY+hd62v596jL9/1as+uVziv34EoL+R1TS/Zlz6v4Oryr/CraU/YuWqPvVI0T3TysE/v2JKPsA0Yz7m0US/7hinP7hxhz8l7WG/4VTgP3HgpT/Zwbc9xtDUP1zgtj9X3Pm/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 68370d7cd513f135a95f4f55339bd73f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "njmaww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JNOJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gzXOOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+guNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oIlwvhyZpz/Vlc++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADAQA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "AQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "ocGoP6RvV70DFR0/8MV3P6TlAT8zsYK+FSjZvlA9Qz9N/K69kFbBP2TiuT8/6bW+UmibP1MPdL5+J7K/numdv5ha+bwkxDA/Qo5Zv3uBcL/gsbE/NTtev8TJuD/sei6/J9cSwJ3jjj5EeB8/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b0763e07269f7ca30bb759dcdcf427fc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "N8u5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OdaNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yeigvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DjhLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/yHdPhyxgr+Kzbe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAQQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "uN1yvmbRFb5mW5o9aOG0v6p6xr7GlnA/yM4AwILMob+jFB8/C6zZv3MXlD43WfI/1QsUPSvMbb8/KXi/SXItP2J4Wj9LEWM+KdOQPzAjub7QBLe/Nx/FP7C9ND8sOD2/e4zQP8mDM78xYw/A", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f70272dd14d5cf058343c0632c04e09a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Mtq3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1SSAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "73PcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sg8Svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7s6Kv1TG17+8XDQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAwQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "ofnBP2FYyT7zxIc9SVhiP0P3qz+gYBy/QK3dvpNppT8q10W/1rVgP7SeJL87fgo/VkORv4dZkz6JDKa+Lpblvp1VMb/zdpk+0R6Qv6aD4r+t6zY/8w4lvyTKH8BYrZs/GskHwHoG6L9ICRQ/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 73b535572ce47adc66583d4a25e8c907
username: gastegger
key_value_pairs: {}
data:
  {"energy": "r5OFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1seDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EJYxvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KCpbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7neQP1ExTr792W8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABAQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "EdldP8QCYT6WILK8lnjVvtewdz8PWJE+OAGDv47aCT+ak40/5qyoPxc3Gj/Fl3G/AGFCvwLY+j8ut5y+a+7LP3pK1z6ZB0g/EL0yP0FjpL8u+dG9bVelvltY779/Fx0+B1rOP2lr6r/EMNi+", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4609cca9975eb2457c5754dd7e546b77
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RTnQww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ICifvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "c54xvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UvSIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "saKGPf+yl7+1wwe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABQQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "fnmJP+owQr7/Atq+nATQPvhzUz8hKGU+xkiMPdLsp7/F1RW/A4ANQJTpA76+j0O/WUePv+NNTb/DQmM8ZxNnv5aB5T7DvPY+MCTZv1XukD/z+oM/jIbWvfRAxb/P5tG/6cDLPovWDcDa7om9", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2cb3b5bb5e5a99b9c57555a579bfe2d1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "N8u5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "stWNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aOugvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sDVLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UTHOveHRhr7uX+U/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABgQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "n0GJPTG7jz5I4zM8rZlJvqHYYr8LYCS/Ntfbvhxf478DIY0+eiqWO7EZED6x/Ko/zMWavjJUkb8YYLg//zPdvuTazL/h+BRAU/rHPuw0yj9MUx6/TpYRPwTHGEB2evU9+93pPhi04D88aue/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a1b7355d55958d09925592ab9d709a97
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rljpww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "F++fvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "e78Bvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sx4+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jLkrvvIkqT196PI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABwQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [9], "_dtype__atomic_numbers": "int64", "_positions": "sLLIP9m0Wj36qJI+U1zePq6dWj69iJk/4tpIv9m5zT0cHBY/0TIfPxLD1z5lIxdAIHeDvzvEDb6qqES/myimPROcib7Qt8K/rX8IwHb9YL785Ju/8c7Nv9h/Tz5/ZpU/y6S8P7zqH77hMmW/", "_shape__positions": [9, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2a6a4685372660538d432a48d70edde9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hmjGww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LlObvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uOUjvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "d9aGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "F4IMP9nrLb/0wyg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACIQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "g51Hvd7WHD52+Ig+blmovwxNNz8GG1E/3aHBv/prlT4+Juc/u93RPvX/h78NlQ0/ZapDP0v3UD/t5Ri/15rBP/MHjL9TnTS+0dmcvxrX5j83l2U/u3XgP1xHNjwOQV+/b30IQMXt8b9hyUu+iUYYwM/J1j5+R1G8", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b13a3a34bd5d9f48d4baf1baaef9a70d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fGLfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mZqUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dZSjvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+GpXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Ub3Bv8bEpr7eyJy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACQQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "tVtxP5nJgr2Ro6A+D06IPoLbLj/4Lp8/MfX8PU3/Cr8k2lq/88SSv898fj/kDJU/TFDkv36jFT+ypUU+JeaavydvCb4BAkq/DZUGQPZQk756se8+PpsnP2aJnr8TouK/SSruv4GJ0L7Yh8G/pPcavD+Tv7+XPSDA", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ea6ab8d3524a3b72faadf5cef384fef5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "E2Xfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NwCTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YRuRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vnJdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hXwGwE2+ET/ikiM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACYQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "QxKVPno4hbwg/0G9NKUVv6t2bD/QIQK/TcTnv+ZWQz8Jdku+DyaTPeMOoL+LebI+pI0LwKMDFL3PzuY+lsSnPzOZ3L/DLys/nZwtwMwvzj8fmy6/pbtlwHMasT8SlrS+WDXKP1MWmz53C+i7B7cNQLN/X7+j2PY+", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a810cf04943c2399483ac7307832c2e8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0rWWww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "O1KNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZvZ5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3CZcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3/iaPcsQoz+mfg4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADQQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "s0DJPm07yj6KRcM9Qplzv4XURz7YgVE/r8dQPgY2iD/VCpa/4w/5vwP6Rz+1ovk+rklsvykxAb94YdY/81wwv5g7xj8on5O/fEZxP94k3T9hia6/IzeAP1BDdj/QQ1M/Y/eGP3JCar/6N0G93OPIP0kl+b/AnAG+", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ea3967bc951a803e8e450873fd4ceb2c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DcCxww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CcWWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NnapvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "985Yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eXWOPj6unb6r7Fu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADYQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "Lf0mPSyn/7xYgAg++eKPvymckD1Yl3s/kadwvmh9VL7PC62/q9Wbv2xtJL+3k86/kOEUP9D35j3LDwvApR4GwMImCD6los0/3i+cP27MND/S7AY/mv6cP3W/Rb8SGxQ/cwmNP0vbfr/GyMg/q4nbPwRhbD8lRLC+", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8d8819b1abbf1c9c88e9866b16eba57f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9cqxww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EhaFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "L8N/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WDtKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nrXPP8xdaz54tJU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADgQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "k2S0ve02jT2San6+rtSQv75DVD2qBqa/MxNSv37zGD+ehw3AkyYNwGtb+b6LvZi/VT9evvrgA78IzXA/9L+NPy64ND9iNuS+yAbfP380/z5buy8/hL91P251ar4sbcI/3OkuQD+EVj/BCXM/B12TP9WhDb/OEB1A", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c4c73929e89ad05e5c5f4d0c6abdf313
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OlHhww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BhOfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PC6qvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7g5pvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nfQOvwwfUb7iOwm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADoQQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "H0YsPf5q5rvy8Cs7VoKVvxrce741wlC/Mo8RwPZTlT6veZC+WkpAwHhRqj2icWK/WgyQPcOxJz9m+JA/I0yRv6woXb8B9uy/ySGuP7BE5r7VI5i+xmnaP82Igr8Rb5K/wlEKQPoOWb0EKiY/BkiuP2q4IT+5ccQ/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 154c47df6cbcca9fd4acf565f38020b4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CHlzww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qi11vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qaU5vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "T5Npvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DJP5PkjhOr4hHwS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAAQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "7fjaPmT5/L6q5Sk90x4Nv5rhUjvT4GE/kqVwPyF9pb+prMQ+aeyIv2b6XD8GGuo+wpZBv5KxC7+swwBAQxA9P0dxQTzpGpq/+2cMPiXBgT9ertq/+o4DP38MnT9/NijAc4vAvzAlgb3IXCBAKi/GP4cTDb+OEde/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ef4cdf4f6b02ab78db9ebf5384f28a19
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1LrOww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "P2+Svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "okPgvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rbw0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xxHbPixl2T5bsR8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAIQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "QOaTP+9tv75DMTk+2K+NPh1Kcz67LZk/ccYtP6f2U74fDZe/45WWP4JXvr/NztK+wPA9v4X9TT4TE3S/jDBkvy5d1D6EZew+POOfPzjnJj6KPAHALy7vPtNDAj/DtxlAWZG/vsjfYz9OmzVAnbTQv4fG9j7oEti/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dec452e7a6c92acb4d070d8fb40c1fec
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qVfEww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Pq9ovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "K6bSPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AoKBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zTuWP+kOor37ebO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAYQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "yu+EP5GYub2bOJI9j7r1PQnhHz1RSmy/nkMIPyej471+BaE/6cKQvxMR5T2fqKS+MEIVQJd5O76/bmi+LbNhv/vynjx484I/urQ0QO+Vib7y7Rk/2qWTPtNSoD3L1PS/0C8PwCsncT4rvWq/PI1AwE24hz7ewoK+", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8f3cbaf804e663ea2dde2022ba97f2b4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "el3hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Byeavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aci4vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2ulXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "inaFvnBfB75os2o+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAcQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "jQOOPwWLEr5QCyk+UPoWPtd9Jb9SFoQ/5OWSvwFktL67XyI/Q8SvPiE5lr/nRO8/m8SKPhL+Cz86RmW/4z4TQC53db4R1X8+GZuHv1y1vz6NLgq/UiMLwEarJL8kv5Q/eLQyP38alD8Vg/O/x2mAvcO6xD8dAB7A", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 97d7078d0d49d17afabc98683979867c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0cHOww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hA+tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0vsGvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NiNTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UOQpPxcr2r4uBEk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAgQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "ynFPPzrXZD4x6x8+riSxvmWINr91nRA/QKBDv2D8qr6RLsE/nxe0v+P4HL+9key+LrECP2xo0z9Wcsk9iqHuPUKoAMBhDj0/OfuLPhApMkCKgL49nYXzP7rOYr5XT7K98WIOwB5RCL+CFqO/d6d7P5tPBMCjOJw+", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 653d382979e5b354fe968227ff0acac4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "STarww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "742Rvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HQMyvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "F5t2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nWNAvUs8ED/XaWS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAoQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "Zm4MP+hIvz0U0BY+ijvSvi4jwz42SFC/zlHEv0v0EL3yF0a/v9pJPusxNr8TTps/NSNZvxokhb++i5U/w/k8Pk2Qoj+WAe+/W+yFP+VnRj/aqBTA3dB+P0mcer+egQNAvO0MP4A8DEB29LO/YcAQv/CWvz8J2CfA", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b1565086b3304bd6a9eb53bd8411be3e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pM3cww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZjOHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+BfhvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0Nodvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LgQpv0OQk7506go+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA0Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "GWwuPyDwn7yotDw+uVgtv5NBEz+B3l2+riyvv2y5CD+VxyI/bK4iP9ZEsr+wLFw/f3nBvrp277/bbKY/eSOPv8L1O751kaS/kbkCv59N8T/sABC/rwvRP/FQ77/ss3I/a7gEwGhayL2hM6+/hT7eP0PSCD+v75c8", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aea25c4b63d1a7e3d6014846e44c91ed
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5Vnhww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Z32Svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JA65vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vHNIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UWajvoiF1r+pwVS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA4Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "4OyYP+q5Cb68PVu+sfOdPr1fk7+fH2m+pSfTPsj+gT8Xk7g9bOB/vzDx7T7PoG4+X8Rvvzz4ar8NHRk8IkZjP3H7BUC2MDg+TqlaP/k3FMDTev2+JtMWPpeTPsBGqPe+NRP+v2j6mj+5AwI/ddE1wMcvJz93Tw8/", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b3fd17dfe1232edecadb28e78efcc9ed
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OMLOww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2ZOovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "beR6vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SzeJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "l3NJPn/2pz+MSkq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABEQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "c3WzPvsECD7AFeK+Dm4Fv7ZPwDy+wyw/QBxyvydumD+TKqE/8kUJv6/DBUAfFEM/QSjWv1r4lz/EdwxAUncPP6w8mD+dsyq/YT+Qvn+h675P2NC/qALRPyJVBr/u9A6+aUYpQEyjgr+z+N49Y9pJv6WHY7/d2CTA", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 53c17ca502f74427065ac2d85b7a45ad
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pkvGww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NdOVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UfnXvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oFOIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OEpGv2/w0b+9ABM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABIQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [10], "_dtype__atomic_numbers": "int64", "_positions": "byWLP2Xoqb4XIfq9+vp2Pv1XqL+DtZY+dsijPq7lVT/JYo6+B2aPv3Z6Xr+8iuE+dKkQQMv8vL7Pcqy+YI9+v5K+GD9TMRI9HxjAv1ZZcL8ekLs/tkwVP0KeD8APjPA+jMnpv65UsL99Gma+Z2zsv0+Gtj9GG4a8", "_shape__positions": [10, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2508a004a84ecd2000fde8f963b777cd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Hebfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0VqZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RFDVvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gA1Ivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zQYZQEHUpb/pt68+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABYQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "qCGwPozpQb7ivlw9xVZpvzISOb74o0w/kYAQPxODCj/Ch4q/QW79v172LT+is4Q+4faMv6ZjVL/2Puc/7NC+PwezZ7+lJrE+DgI3wPhRqj+jyum9WWMVQBgkD7+XOyO/+sbhP4T4pD5VosC/s6jdPzOHy7+w/pE/witSQK1SXL95l0u/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ddd7e3d48b988173236a22f0023fab91
username: gastegger
key_value_pairs: {}
data:
  {"energy": "d1HZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aAmKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yefVvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7B4pvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iZiGv807vr70Gtu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABkQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "nYR+P9wZzjz7ZQu+f62LvT6DBT8o+l8/9BYDP8UyLr9nq5u/vJDCv2QJQD6EMhQ/6nMKQKcMYT43M8S80ndXv7YGa78q7q6/nE3lv1rqEb+cgB+/hUCAv9phvr/pvRHAWKeSPu09kj8nlOs/8kYFwKeNkD8Jyws/iGT2v4u2tL7G0bg/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e1a64c7904a8481bb052861f854b4c8d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5NHEww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "k8mZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4naovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tVdfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "weLUP3V2cj6jAdy+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABsQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "uOK1PhNR7z2Gnn49jIX+vhm3I75fypw/NPySvyJ3ur407QlAKgMhvuQopj9Xviu/IailPutCjL9ud2+/rtnvvlqeDUCyM6e/3cyRPzBShL/9ite/qrvvvpwD/r9MzWK/hAvgP8cofT4+Dvo+QSbqP217aj9wyZ8/6DkUQF4YGD9K6I++", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 99f841f1fc22c3aaa933cde0003cb93d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ak3Zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tYeNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LLsAvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PlQavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RusIvvd14DuPqoa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABwQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "Pvx3P9stxr1IYCc+/afuvdQ5M78iAEO/RmP6PlFXGb4Ugsc//JXrPzn/P78PA4w9WvuuP8D+lz+0hHG+ZicWP6ty4T/t/1i+Zf2zPXA0Mr49ESlA456pv7aPOj5zCIq//xi5v6ZApj/rXSO/VhcFwNw1mr6FOd2/anMCvfwD578Zup2/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 79eb18fdde375380d9b03b9b165bac3d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "U9zEww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lblpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "420lvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HF5Avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SIpAv1Q1Qb+s4gW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB0Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "4w5PP4txpj7WSui9JNTFvqn/fD4V6xw/iU9FP62f/r4MdJ2/McjNP5i+Yz/wePM980cBv/+wib9ftZK/RxvPP0M4Lr8ewgTAmcOYv/oLIb+fyjC9QycMwPrtc7+XP08+3RZVv9MT3r/6Y+q/jB0hv0oNeT9kkuU/ghBRv4vgyT+4AzFA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 777efa182df26650b52e3cace8fa559d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "20X2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2xWCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bR0Mvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "khzwvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "v7fNv3dKB74SvQw9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB8Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "QSxxP6cBF70Df1e+PXSxvXRAdz9OmE6/wBTuPcvOlL/7avM+3/qjv6EVH79eoB4/LXmzv0W4Jj8HuhW+sGIIQEtbw7tOxbG+2j8HPgl54z+L99S/okGbv4zSJj/ZI6M//H0IwFV/oL9X0lg/zGIEP7xWEMCFfkQ/EloWwKfygj8pyAW/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c1935e668e99e605863681e60d3495c0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sUrAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "B9Cfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GVWGvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tWqXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oyNhP5qZOb6wj0a/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACAQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACQAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "ZFtgPw44fb71MFy+893EvacPsb+9rYS9S611v4N4ib90RAg/CeXZPm1mkj/x99e+zzVyP3oDNz/my1U/rp/rP6j3Bb/wGCS/16J7v5jtvD+NEPK+uLKHP3Ji6T+1pXy/FW3ivs0n279Uxoa/qJEIPxAqHMDLaA4/85sGwFc54D88+Au/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9f779fc4bd3a0a7bac204708245927c9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "283Qww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2v6Nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ebFwvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VtFfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1QkQPyx9SD4EHBK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACEQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "f+sfPn4tAD9iMNy+uU6SvZAAuD9+m7E9qwNhv8OPfD4xgsO/tAaAPQFxHr/+nuM+lb7OPgfO2L4w7N8/UHMhP+dJIj+e5/w/Eba3Px7XHz91aXa/Hkkyv0dfML+PngbAE0rdPlphqL9LYiJA/LrkvzQKfj9axeK/to7VP5izTL6ff7S/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dee3defe496d97b00737baa7d99702be
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RE3Zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qP6Zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "b0jjvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GFlCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AWq6Phiy+j3pmjE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACIQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "wYNHP9n9Kb6/kIU+gd3Hvi5wC7+9CSq/r6ZfP5ZYgL8Ih3o/fcLLvzREgr9R22I94lYiwHTprL/KgSI/Qwy6vhGZ9b7ARu6/lY7LPqKdiD8io4s/dBf5P0FvJz1f3eG+lPwLQK38eD9bUp6+YLkBvzbrfj83TNw/CnaKP/KkA0AK74Q/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dbd1afdbf0b257b3975e400d57a71738
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5dfSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tYuBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SkauvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RfQrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7lpiP2Qe6T7Fcgs+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACKQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "1yeKPp4B5D3+VfE9F1E6v+SjfL9X85o+Id2lv9krY7/CQ6A/z45vv7Wd8r+KMu2+bYW6Pn+Qjz+iNp0/lEgzP8sOJj8wRApAMb6IP8fE9D+oHXU/dQxjv1qP1T8Ofbs/iwmIP9Yunz4AGGC/7uZ+P8z2IL+gsO6/4ODRPx52nb4YgSDA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1a9810534d6f1c85837e0dadf70e1061
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wr+pww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HZF/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cLN4vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QWRBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xJSIvzMzk75nLMo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACOQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "qUY/Px3qRz5WTXC+uSQXv0pw6rxqEvS+X7OUv2kemL735KE+xhuXvyBiwz3Wr9y/oHcXv+Qr0T5eoi7AqmOpP14q9j7Ox42/3LsQwGPsBL6sA9i//BmoP2LGtD2humk/xmAZP+hQhr5T5f0/Y6xMu4uLE7+85T5AiRf8vrowVr+s4HhA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 11ce55e2859066a2c8e4d4b41fa436c8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dWnXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OEmLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KA2VvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3AtMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1Eifv6UxOr7i6ZW9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACUQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "YNqJP3A2ID5WnFQ9A7GDPpD4wj2mQJg/678MPmIGEL3C/I2/9s0TQAFZrT4SWyg+OxcuQJG9sz4LiEW/y+p6vzeg2L0BYjI/I5CTv+1RRb7zLRS/iBsLP3+ZFb1A4RPA6cXzv+DkRL4WSNA/7RMwwE/8q76DLpc/B7tzvmgRN75E+jzA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 730d37f95d146a7cef66f00749ea2c57
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BFHAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VS6Evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MrCOvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pIZ2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DvMFPkp7I748MQs/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACWQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAkAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "bMfqPcqDkL7xEjk+LE5Av4/aq7+2bT0/rTtrvktmE8D5NCw/WHtNvnuKgz93VOc+f+d6vycRkr8OeuU/PuD5vwNbuL8KemM9GoJAP3gs3z+7Cjy+ROTQP3KqhD+h0VC/dRgwP2ZaNEBpzdW9C5+dPwpfi76YExe/CRzjP31Wjr/qq36/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 40013f8d95160782a4c3325fc7754ffd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lDu+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cvyIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "FcmXvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WhRGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FAWeP83M/D51duK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACaQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "5MQAPzoOBz6BsUs+vWZQv4p6z75LWT8/YlmdP9lKYz6OwII/3fyxPtKBwz/aSs2+6MfOv8L9B78MZIG7Ookzv08nB0Dxr+u+V2p4vzn2K79OVfQ/zg6lP+AA/T/gfUi/3cKPP2lfUL+DvlO/o50cPyUx7L+DQpa/g3QGQGnN9b5pQp6/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2b20352fa94bb4dcd92ed19c82446132
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HS14ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "B0FXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ap2JvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hnISvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "L6ifvjwxMz/pDrI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACgQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "kuuHPzjvCr903aS7N2riPmMAZ78J84G/BpJyP8mF/T22548/B4kWv0gosD0Z9Z+/8KSQv03kJz9rqCW+qGENv0YA6j5ej58/inrcP5uWKT9Rj9I/1TuVvwzxhb4Ztuc/eNsBwOeioD/rmIW+BZd0v9vjQj6JvhDAb64bv44Vsz9Ry+Y/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 85544e5929235dd05b774298af2e6786
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z1HZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mMGYvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OSlMvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4nh+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uVOOvz8ddz8+y7O+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACiQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "3MWHP18CrT4MA7I+R4qNPhSclz+PxP++jXnqPvX6aL+mmvU+QZAFQNX/HD8bn18/1HE2v9PFd7/ZI4i+JIlrv+gHyz5+w1a/ijaCvxGVwT+jOxA+fVasvw+T+79TWM2+sl2Sv4Fmoz8UtJg/Agerv9Ys9T7z4+q/1jG5v0TwHEBB3D2+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dcee34df7122f3a9f2b3d9544c398b09
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xPDtww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1LaBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "N+EevQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WrVbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3Cl9v6SIJL9/+zq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACqQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "mL14PwsNnr35R9+9v1I2vna4qL4xXl8/pbsXP5/IEL4Wa7a/vK4GQDIc9T0Ic0s+BI5AvxgGOb6aW92/hUjav1yzYT3LZ22/NUNuvzNdyr4XfjHAramsv3yntz7pDb8+p8gJwGTcgj57uno/SjClvsPKtb/5ZHk/zkoKPs5UKz6CHQZA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9f5d632907af8db54d13cd98694cf954
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qsDGww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "i8Zqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rYUZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IGVEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vD8ePm0cnT+PjYi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACsQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "UkUYPy4u1T4cc7I+MNqVvm9sJr9GWZM+CXuHv5uaCL/zlVa/nby2PqJ6lT+v0D2/7iiAvswszL9Miak/wookv9qhJT9R38G/3p+MP+vEEED4q2a/CbTbP92wFUC9Jye+ro6Cv2pohz8I2RvAhmXqv39wnL88/ZG/EOVvvsXnGMDJ8QpA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8ef7468999ac6b75f2faa2a5bcb71d99
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vdG3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "U66Qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vTrHOg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jnWRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZhTrPso3Wz3ayWC9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC0Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAkAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "uyOoPikgyL4hiHS6L72Av9OtWL9aZDY+K522v52Y2L41TYw/VBTsPmFhcz/PUAG+Je70vsZ02j+Su7K9ptfzP5Dlqj+jb6G+pxUgQFVeeT8hxAY/m/vOv31kEL+CeS+/AKZuv1hCDMAvr40+vzUTQI02XT+DDJy/SOX9P++9GkBd0Mm+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 218673c28b0b78572b209a8ab8f81f87
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6sy3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WW6Jvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DeMuvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7yNnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "34lZviY2v76H4YO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC2Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAkAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "RG61PoORpL6yRb29NYOGv2Xcjj2/brA+YTe4v0JGYT/jfpC+Y8w1P7Nsj79YvBQ/Y7uHv9mKwD47bLI/nybvv5XchL/oJDI+41jGPvONO7/ee7i/3v2nP4uSWT84pWY9gY/5P3bygj9kSFa/PSabvtGcsr/Je8e/Wl2wP6P4wz+tEIY/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 703e61f385ce74570a35a054ef1384e1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ouHSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OfKQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xhUXvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AB98vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iIXKvlXeHj8faB2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC8Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "q6qGPclrvj6C236+X8iIv1YwFj8YaZy/IE8XvqWYT7+YyNM+wW8wPxIolr/kybk/FFcBwOIlID8EGS6/N5uOv8y1f74I9Pa/4g1gv4t04T/UyPO/FuSHP8arjj8mkka9iRi5PxkL0r53WdU/k04JPxXEDcCJWgBApTuAP6lz9z/0SSe/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 67c6d8c15f045a6f23ccd08a635ab4fe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Zjq+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3naJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5xgQvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "F/aEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "662VvwlQUz4rGG0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADGQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "HcNyPyWjCb4nH/W94ZYGPQdbib9KaAy/UiHWOyfobT+PmO4+QXsIQAdQYr6ZNlm+8OJyv4ijlzxTRqU/fCCav5+e0r71qya+DRGCv8PFcD9ewRe/XMfOPsNM8j9Nm0Q//mUIv9nBNr/ZDf4/B/cDwFZVcb/9jBC/hhPjv9W8FT/AKNw/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6b28a8a402490ed27f7bfd1ad813908c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YU/Zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3eqJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "A5fHvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OAowvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fXlhP64SJL88gz4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADIQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "nFtdP2Prk7xXO6+9YzsHvxkyQD8cTh++kEFav9iy+j0ba6A/AIqFv8/UvD+8T2+/Ta66PjFqCb8ovpc/iNaKPwWnhb9SCZa/Vindv13YKT6jFARA8UnbP02bKz911+28ifVWP+Q0ib/WsPI/Gj7yPpa2+7/aioa/A87qP7tKYb9YRwbA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4d60d644082c73ca2f31d7489b6e62fb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VOrfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wVSTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "d6IEvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Cwcivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HHyxPpTZoD76YUS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADYQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "anZmP5Nr7T1FBF89F/v+OpssXT8Bri6/MyCkv98mqj6/IfG+FinPPpk6XL8FuD4/pbF8v1iBUr/JnPo+XQTxv3hvy78VZnM/Toa6vxRCEsDL9sg/lXZgPvmW0z9znqK/Fb4TwLnuOT+xx3K/2s8SQKKo4j4Syro8KTBaQCMgPj8owgq9", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 54e7c93c7841916978bc90b56cd925ef
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mNDQww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZJSHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LqlavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fH5Yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lDAzv3ke3D1f0jg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADcQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "fokCPxJIzL5BVLY+tTlwv1TknT04dq0+QEd9P0XvPDy3oqA/VYQNP+iy5b94cKw+yzXuvxrnML/cS0s+n2W6vroFBsA4h2w+JNiHv3/psj8r6Po+jh2jPwArKj4c6Fu/R6evP8BLFr9k4tW/0hTeP7y8oj8ZM2u/m2MAwEU7zj/bYOU+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 887182268599564f58e4def2265e5011
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UW3Xww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YruTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jZuavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/ihavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SYCKPoIcFLsteBE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADgQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "iwKGP+Uczz4nube9b3xxPWdnLj8NIoO/dDivPmGV8L7jJ2c/RLp1v6rRHr+COvA+seZaPwWdd7+ptfc/4oySvxIWrz0qEDi/rT8PQJTFUj/hkQK+yYELwI27+z2WZ6e/pOM7Pk1GoD8PLuy/+LUvQDMm7z5tDC8/xy5CPlLZw7+xzB1A", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7fbdfe7b34caf8fb37670adf5bcaccdb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "y1zXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "r+qMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QgjIvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PdE1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Xwxlv5HQpr491SE9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADiQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "rGxvP5YDn75je2C+47ogPmvTOb9C9aC/E8hDPsJtgz4BqHc/egipv7qoEj7dLlU/iBXkv2zRyD4qFwm/7JGWv+Cb+Dwe6MC/M2sMQDNr477K3Uq+EU43PyoBPD+4+fc/5kLPvzJvYr/uGYo/fQ7qvzqZUz+fasE/uoUhQFBrV780cYq/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5e86896d3a517a6c5f00772f9d9adc3c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0+jfww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xXSZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RMLXvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aAhHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "V1sXQCoAbr/CaZG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADkQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "44LOPg/UbTzOR2y9IFAkv9VsPT/rDDE/fpwGPpSLh7/kIFu/menXP430uT5tpTG7R6AAwBPYWj4dRQM/hkDjvnWo2D9s/bM/KPsPQEIVC7+570+/LJWoP7Ohsb+aoai/Y8FPQLxLBr8RuXe/wmXGP7WQDMBbLf+/PeNGwGIMDr5ePdk+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5490e4c1e30c58ca2fd16aa586c7338c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MWzXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LdKEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "b7ybvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IsY7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sks0Pzv85b7OcOc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADmQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "pFg+P2CcEL9PklE/Bx2EvskMoz61t5M/1vxQv92pMD91xZu90AxhvEJDqr3Xjo6/WY9vP77mVb9qvty+H6K1Pzinhr85cu4/MrpDviq/G70ytRfAyFvcv6MYuj9w2zK+nll2v049Gj//tiTAaFuXP73PRb+kFjNA5ZYKQLMq2r+5Rtk/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ebfa0c3a1e7a7345b6e5d86ff1c53cbd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1LfGww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Qnt1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZHa2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EEAavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dsOGP1oSSD8GR50/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADqQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "uVigPxEQ+T5R82++FYCbPpgiAr9msk6/417tPs3y0D/NAsg+5vtnv1uhyr4U8CE+xbjXPtNbnL+GQeK/0SOFP3WFHT+KqZ0/RozivlEKJT8VGI8/Crj4v+NIgL+fx/Q9EiEMQB1OQz9Z6zK/pafbP1T0Pj+WEQRAwymIv9N1iD9UwvI/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 94ff9ffc70a9f50f0a058b406d8e3e3d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fV/Xww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ag+Uvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PlxyvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9IZrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "smgqv13c3j8sn5U+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADyQg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "vLO4Pmf0uD5Z9OE9BRYbv8Pfsj9MmQ0/pLoCwNRxYz+P0SM//wSdvh2X4j+QzcQ/m1rAPg2iDb0Bk5O/4XKfP/BLgL4V7Vc/s8YYwNlgZ77tsbc+uSjvP7zGjb/qww29vUu0P1nzgr+GnJi/nq4wwKwh1D/e134/exUYv8FMEEB37QW+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c128b8ff03f25bb8427aec0366d5f3d1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eXvVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NQd4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "l1eOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "atswvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Arc0wG+70LuVgsK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAD2Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "zo6YP5RE1T2MHbQ+21qvPrQMND7zNsY/Ydlgv1Y9W71C5bs/eUoTP/ftRz7x3mG/Ck0YQAnDTTyw/QQ/NCMzvyXfJ70uy2u/iEW0v9Meob5r71o+Ts8ZwJER8r66Zmk+BU+vv9CHiL116QbAn1BTv0jygj45QjnAY5MWwIl/Gz6oUwjA", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3924c3cdc82deed2af731d55f010ac3b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sG/2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NA+ovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "75CCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+GqHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xOvGP0JbPj+5pdU6", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAD+Qg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAACQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "InzPPkOAJD4ddE89zuptvxe9RT/IRom+QkQDwEOqOj2shbA+DqQ7wM2m/76YlFo/RjcOP6ZDir/c69s+HY/3PwoOmr/DbBE/ogYdQBVdT7wB8YE+VXZuv8+g5j96vd49cELJP0PmYD8o2pK9a2OMv+i/UT+tOtG/88VhQJygtj2nUJw+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1645b93887cbbf1259364a36988cb0ba
username: gastegger
key_value_pairs: {}
data:
  {"energy": "aHHXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "85KPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "J9lqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nG9kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "smOzv3EgLL89ROM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAADQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "1i1rP10RMb4Q4l0+ZC/numejfr+gnFM/v1knP+bgYj8mzy6/8f3xP38Fr74kOuE+eYAyv46fjj9mPHu/eVOnv9eRKr+snuE+ZZ+BPuXk8b9IQMw/kRXIP/O7wz+BHZK/7CfJvwRjtj6Gt9m+nCgowDL+Aj9LtiO/Xu4CwOU3nL8E9Vg/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 54238965a92959b7ad0f4658ba18cf3e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RuPSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bmyGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sU0qvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cEVivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "n467P1QAqD9h/ae/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAFQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAkAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "HP+HPzuiRr7fY8S+6PZmvhBEYj7fJw28KJV9vwoL2L5INCc/sbjNPzcf5T5cb3G/0yfZP38ms78oIpq9Re0Lv7rnzj+5Ng6/wtz4vickzT8zpNO/2+VHPiqpFUBnHT2+4kflv8Pq/z8RCS6+d6+ePxcVE8C7mhI/6IEtQPOgtb/2zwW/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d2bcf0a6a8b187ac6271e963d92265c3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PTm+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Me6Gvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vJF5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "83dPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KuNfPgzNtT6KyBi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAIQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "7fISP7Ab/j4/tNw9PQwkvx2Rnz9/FBg+jbfSPKg3k771II+/WuKgvxmPBj/XqHC/mBhYP9ctur7E86k/yTUIwPHEc70Tah+/h0O7P2g8jT8fq+69rcOyPTNq9r5MKxBAQcHfPpEokL8+a+2/Q2PoP3QoZ79R4qI/UbHDv+KvlT/HWuS/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5c29bba2ccc0a1ed183ea688bfde2c52
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wXzVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hsh5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ogiJvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NUQ1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gGDePmq8BkD+JjQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAKQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "w/mBP9kg/L752US9RcpJPtCmvb+Tf+G+/JgpP+WnPD8Tqpg+u8yLv8oHmb+Jwfe+Qmoov3AWbj9zuWI+Ig/Hv0JGbrz0qyi+YnuUv3WQCEDq0Qo/uKYTQPf3Tr8fBmO8uz8yQNdtp7wTjI8+hkcMv9/bN0C47FY/bc4JwLTLEUChXfo+", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7e7eda96327a493aa5a74c5560ddb120
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z23Xww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3V2Xvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/u2yvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "u0RVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "n5N+vp3XUL9G0xm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAALQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "sikTP+0cAb1DSM473C4Yv3y8KT8YqNQ9Imm5P+Te7j6NPeM9GYxFP/Nht7/fqHG+TOPbv4VnVj6o9RQ6+ey5vl9XCcDjV8K+3BWivyg32b9/NaW+WAH0P9XZ7L83HJS+eknEvnI/BkCoibg+l8l5vp6HTkDS/w8/lHiJvipoSMDrHA6/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e5d08112b708370151ac6f2a7bb9d89a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "B/Xpww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fa2Tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "26TCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jAhGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XvQNv7pJjL/sLzu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAPQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAA==", "_shape__atomic_numbers": [11], "_dtype__atomic_numbers": "int64", "_positions": "diKAPm16071a+1Y989Q/vxZhcz8vjwC+4rL6v6/kBz9VJ9m+fhXZviY6BkCCQ7k7FYeoPZ5Yub8ZxVe9TnbLPxiblz5cncI+MxyJv7Kx6r9azay+32jTP2OmsT+m3+Q+Gxj7v2ge774PB/O+SFmFv1+xNsABKcO+2PMeQI829b6CfAw/", "_shape__positions": [11, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 37c0ffe95c1ff9a681ac40af5131b1e3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EmLPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bARivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZciRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OiAZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CvQBvxEBB77Bxfo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAUQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Wx4sP8yWqr7ZkSe+YZIBv2UwYr4+3hI/wyQ5P2mOJT8jP5G/ayPtvrF7rz/l2nm/rsyVv6Z9VD+tkz89wJyvP153hL9nS5o7vqbFP5C3eT8xSwLANaJXv+tJjr+x6dQ/WrjvvTODAcB71ABAu83nv7r4Zr/EHQpA5/4WQBu9vD4DnQLAwWsHwKhfpD9PpZQ+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 99f8e788af6fcfdec669829097618e04
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8WPPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+YSMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "391KvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "elJmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JXrpvoXOi74FNLG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAWQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "R5k1P0YFbz92D5m9YPK0vQXUcL7o7Bw+gqVOv0bCqL0kYIe/WDuXvGf6lz+al7S/t2bJP247uT8NUQ8/g/jWv5N1P78vF8S/apobv8C6BkDkLrm/yoNLvrt1nL8ea5E/2gUHP3zkmr/g/QpAe6obPweKjj9lSBPAMeV3v9MN+r9ssF4/1FCbPtpoAMCIGjFA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8eb6479d5caec2e5920f675bbc1b6e50
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4jGZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H4V7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aMs5Ow==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TWx+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WW5pPswoNj5f0ji+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAYQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "kVYrPxeQgD51ULS94zyWvuEsQj6XsZu/yK5DP7SVBD/ix64/6MuOP3wTgL7hRpq/QBwdv05bij9Te+G/Lrr0PxqhOr8IQuC/+uV2P8qEyj8UysQ/70Trvo7TbT6OjgFAimbNP0QHML0DseY/jU5HvxRWHb8yqtg/1I6lv+EDUr+XkZi/pFkJwGKRxL7sU4y/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bc0e83fdd9effae10319784b8ee0429b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hPH+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OSeOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tWtCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hbNrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3gKNP7bzdb/PMTA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAaQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "QfQXP+3BlL5CCly93iECv8uT8z6uymI+k47IPlAczr9YXCU/TDdev07Xub9CbaY/VsWwv5dGbL71WIU/OUOvPvs9HMA4g3298heWPzNx57+AILE/dN/JP2U+bj2VBT6/VR0awEe8TD41OLg/jcTZP28Moz9ecLe/Gg0bQBH6+T8s6HC/7XOWP9HGwT8uGB/A", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1f15fb50c6f6afb713a0ec5ee76cbb40
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JMANxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7NyEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9UdYvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "26dTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XktIP50Rpb0jLck/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAeQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAkAAAAAAAAABgAAAAAAAAAJAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "T2ErPzkfs70y+MA+7BFIv3w04D01XRK9LsfIvw9EeD6wO4Y/tCR6P56sQL+T49k/aLCev288b7+MJj2/PEyUP2qSBD8ukdY/DazSP78yfb7fYj+/PDd3P58X2r9ABg1AbcevP/3Ia744vPW/ny4sQHf8xr5rw8S+1ehvv5H5mj8SP0i/E0W1P+n5uT9W/ghA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 16044ce6148ebb6376540c6f3e543c7c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "t07Rww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hbCSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "V3csvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NEN6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dJjnv+Oq8j33zJI4", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAfQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "nyWMP5640L05MxA+Cn6NPujKj79p+a6+2JKPvyt5G7+us96+KCPYPul0jz99ZRQ+wkKDvyvmXT+15+29Vl9+PzeZCUBvUKY+L4HVv4Z5o71rqF4/VME1P/alDMC5Kx6/gJXjv+hwhL97+5a/iHrNv43o0T/Rhxm/QVqTv/+XoL6UguU/s8kvwCCA3bz0XXM/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e3a6405f2b119bc9505c1f657541fc31
username: gastegger
key_value_pairs: {}
data:
  {"energy": "J2DPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1UKJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "h6bsvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZjIcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JViIv6abRL2YLx+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAgQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "WMtHPzPElr1KWOg9nO5kvg/pxD5oSI4/RjKIPIkRvb5wxpO/RiO8vx69vj6SawU/JfgBQOTqRr5QzZI++gm4vwIRh71W4le/BAr5Pp6rQ78cMQzAY8McQLYpCL+SMhe/H7rpvwf4OD/Rib+//cq4uXc5Oz8aXhNA7gNev91IgD++YDFAJwcEwP/8dL82THa/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 455c09580d6ec730236d3b0cdb37f885
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/lfsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VU2Avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "c54Rvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bvjdvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HTizv14R/D6DaQA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAhQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "W719PyginL1XNpe9cxmcvfg4l79qvYi+gnlZPkfjoD8DE+E8DKmdv3nnZD9nIJq968Ovv1PqEr/ap6y+i3QAPgz/FsBkH6W+o0YzP7rCFkBsapU9hcvlv/B8sbw1jXU/O2gLQBenar790vm8y4Dyv3egxj8UbCC/OJuZvyofgr6MWus/C4U3wKrbdrxWeI8/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c94b5e59947514ea2aa96d6d3372c61c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1/L+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GAmdvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GQPLvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pJBUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "s7WCP0zgJr9hT6s+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAiQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "vMI/P8IM8Tz5r3U7lVvkveNnd7/F5uo+LEkDvjgujz/+bwm/tbi2v8BIKD8tzrG+PkIIPg97CkDfx4O/MjK0v7q1FL/IL3o+3Z//PwYkxTyxHBI9qd0uQBmNjL9iWxY/SCwXwCHrm7/HsAY/Z78GQLrY9L8e73U/L3NXQDf6OL/zprI/U89ZQLr5vL945EG+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a285971f3a4aa76763aa0b9da878ab26
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Qbmhww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KZhxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aASbPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "W3yCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xoXTv2b3pL0bgfi9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAmQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "HFJ4P+M5OD6hbQs+SzIpPmNZjT/MbQm/EjHrPJl3e79UAcI+YY6WvwCTCT+OBP++1GWtv4+00b7QjCs/6C+Kv0pYcr8qYSi/S3++PlnK879XpFM/WzOhPhpSBUBQ/K2+K/kHQLBGoD7D2+4+1Zj+v+9ojj+Yd2u/0lbBv9Ot2L8YDqe/C18FwDgJGL/UtLg/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 657b55ab9cfc69e9aefc743f1aa24391
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EXTqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jbSUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "luz4vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "z/Isvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "J4OLv9P2Dz6pagI8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAoQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "lMWOP/YC6rykK/c9iienPgCASD+U8Gs/2vqEv6ehVj8EwEs//Y/APuBTXL98SGm/0rwSQHhUs7yn35M+GTfUv9Nt87sF0nK+sWiDv/cOSr/kP4O/a28vwIZ+ij2u/pq+gLuJP+uozr/UHdS/qHflPqYIB8CODRPAlungv3szyj9RksM/qfOXv36yBkBSeQxA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cf0bf21d3d252a0d10d323e0fbd6d830
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xn8AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AyRqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rU1jvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mFAxvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "B84Rv6X3qb8zbbs/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAApQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAkAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "zaKQP7vyar523Ju+CvzTPkSocL97rSY/OKm6PvyhZz8/RXu/caFtv21Tjz/p/BW/31vGvytbtz4nccM+ubBXP+XPzD/8num/41oVQIuc2r76wim/0sswQAAgmr9ISiC+1VFkvwtHIr8zJHk/IulcP4mh2L8bj5M/ql0kwNgKJD8DhxY/CJy0v90utb/Kr/Q/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6e32eaf69e399959c46e0bc3ff1c1d4b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Hbmhww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bcV+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UWYDvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CI92vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wt05PjbIDD8CZYM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAtQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "cH6nP6OLtL4o1Aq/fg3JPu80rb89YSi/noEJP2q0VT/EW3O+zahZv1jBjb8F+g+/kGNzv32Apz5FE46+5tubPpyPiz8cG54/wVxTP5hHFcBdvVW/8rthP++z0j/CaGG/j6R4vzX+LT+oK5o/GzN1P5Yruj9mNwFA0ZHWv8vMUT9zEW6/zcXfv2QxFj+cKPo/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1556c32ea3671a1aa6eb3e6b73c4dbf9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8XPNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tCFvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4j+dvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "w4Egvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lgkFQNOffb5LyIe9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAuQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "xgSnP0a3Rb2fuqg99XeQPq4oHz+owT0/JCKIv0Ne+z7HB+c+Ddm0v4pVz74sLh2/JYdIPyzWXr8gDGu/5+8Bvxmqg78dFp6/FA20P/cGtr9GGr6/D+YDP+ieoD83Br8/uMH0vwJGjD+yVIc/PSwnQN3pZz33MbA+zBI+QKMCNT8ElpA/+K1VQAiOAb8D42W+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7469525d904803df329b6a8a43088b9c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "a0fRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8UWLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bwzBvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qgU2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dsOePwd8Hj/XTDa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAxQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "j2UaP5Ihjj4cid6+QKPTvnzaDb9/n4W/QlyRv+hZNb9lZQY+5xa2vYK0PT4zm2Q/QrAIwAhdqL/6h54+Q0KYPdSsFz87xv8/BhefP7m8tz/R/I+/9z8DQKb6TD4U8Um/mtITQHju7r5UMc2/a493PzeFyz+BVwrAegYxQD3geD6o6ss8aJayP7qiFUCLIgu/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5c7822ab3e37b2fcec6ca824c218dcb4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xFbsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Onebvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jNc8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SNyDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Jcx8P1r1pb/RkXQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAyQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "CD4wP8x0372Bdog+ISEcv/rwXr8uEo+9m9hUvpa2Uj9MPog/k2raP2pRgz4pyBu/ZpgDQP1LEL8OOwQ/tKAUQFSoy78qUY8+5ZyrvxMRjj20YEY//QopQBMlkb1T9KQ/bGcAviUG5j9Qet0/2J8uv0g18b/LJqk+S8yEv1etVr8oBbu/dy+sv5EpVb9QxCTA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ba0585e184c4533af08e60aa60d08ab3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4sC8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hZWCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "t7ZwvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nx92vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kpYCwDZZoz4fgNS9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA1Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "a9+0Po8HJj5sa5K9oe18vxJmPz98rNi+TQxNvyRraD7YSHo/d5rAvx2hhr/DvkE/g2A1v58YOj9IVfc/Xtaev8WUS79emzG/pyEzPlEGhr/QlE2/oKLsvx/npb8zhbi/bTvRPyQKQj/D/6896dUpQLfbpD+/rGk+9+Oiv65U2D/kgl+/VMcfwEN5Yr8+sm0/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7f2e4ef4d81d860e6c809be4fb1b9664
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+44IxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IqmFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RPxDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "M1Navg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "J6XQPsO2hb4u4hs+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA3Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAkAAAAAAAAACQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAJAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "nodRP5VIw73yOym+buS9vg+smD5qwDU/w+i0v9FXKz+DC2m95ThFv7QHP79c+Lo/pwP2PruOr79tcXS/5u+5PboaDsC+vLa+anInPwvjub/UIAnA842tvX8dpz+pDMQ/6z7PPya1ur6Vmwk/RkudP5uAhD/gvHe/+1X9PhHNnz/mudG/YDUCQLsoRT8kTcO/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cb59ce690cf497e57df8f8b3f5d454f6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+2bPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aW+Avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wwzNvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cFgavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XqKSv5ijtz9UOug/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA4Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "58GHP5n9uT4Os+S9EFAhPiU1bD/iLEo/h/+Gv1GOgT6RUi4/8tSLv2y8NL/Qg0W+Y1lAPgOhQb/0DEi/0qYSP/JhwL+wfNG/Iv4MwLsfJz/YysQ/0JW4Pu4B2D/r8rQ/X+cMQHyrLT/nk5q+SvH3v5kGET+TKiZA1BAewNpr2T+P8Kw/ya9DwDbIaTzqMqk/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8092318e890636193c7c07ded036bb1a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CF/Pww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0uKMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0CZHvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8Ptnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "a4IoPwuYQD0aNIS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA9Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "RTyqPU20pz2xJtg8XJ6Pv7ezzj5jjlA/cV9wPadndr80j0W/gs8KwAFQ3r46UCI/4k+mP3Urgr9QK6+/TzKrP1yhPz8MgZq8sX/QPwok0D+urAc/B8oCQF2jDDwTUmi/5iqQv3Xdsz/ZwMs/x9RCQHNjlj0jCae/TOkBwFygvj+n3gNA9/X0v4zIjr+1CPa7", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 349719655750e4768debb218592b288a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nwH9ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kwGAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fjtJvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RrRNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "l4sIv/hwCT7idf28", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABEQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "mDC5PsIEmL0wVmu9nvhav3j8qD46zRO/Js7mvypFvD51XZY+dumXv2NWPL1RzcI/Ih4HPk0lor7jDag/n2zOP6woc773PS+/l93nP70WAb1ko+y/cdF5v+MTIz/R3O2/9laAP0xaNL8wuQhA2rTyv2lNZD/xEQHA7L8WQDCME79d11g9Tc0dP3iGUL+MfERA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b860cfa02cc225cd169ac772b71ccb0f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "y37Nww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/MOGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VBmGvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TntKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "F4LMvjXSoj7ytTe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABFQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "FGSDP/mOi77ZuZi+jMALPpNpgz547pu/98CNv91OCj/2ACm/mn1/v8wlKj6wCy8/Vga7PmgV3D6NtwvAHvx3PrGuq7786IA/fTkOQEDVHb93Jwe/baQjP5S3PL+cpgRA1XQoQPHMeL9wO60+Q84KwPUjgz/P1JO/TZniv39GiD5Ydqk/lyAEwFJbnj8LRAnA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4d23d424427a2833ad3170ad1cf8059a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LIfoww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LV6Mvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "f4MGvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2zgSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "m/74P8jvTb57vXM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABGQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "0prHPp+4Jb0x4jg+sIhJvwBfqT0XqDO/+izhPXR5ULyP2rc/beTiv9qePD6Tbmo9QWGkv+Y0Bz7BZ7g/9UrTPwOgLr7686K+FK8XQHQ0e75cT8c+sHAFQPalW74aQNO/aViyP8xOE75o/ifA31AGwN3EXD7u8RlAjGbLv8yoJT4/mlJA3NVLQOI/p760Y9a/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6f471ae0b6d9d50150248ec6cf864f8b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HlO0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "f4Znvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Yk7QvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "s3xNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9YSdP/fMor5UOog/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABNQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "jt5aP/WKwL2t6xG9dssIvzF727vBZxC/11Gwv3+XWT5V2/Q+EOFNP9alVD0dFqY/Fv0fv+ZwhT4Gedk/ovhjv8FY+L3Jmdq/pRbvP/7cgL73hHG/FR7HP/x1D7+TRu2/FmnPPxHZFT0OYQBA7cUuQFvtKb/d+yC/YJaBv3XNBL9eehdARfdOv8amnT+iOwtA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2f3d88c963bc7edeca9152cec17afbb9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5Qfkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "F7qSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hjqsuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LQmQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MC/YPyvBor52iUK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABOQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAJAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ijkPP8pTAz4AhVW+gGUCvye55Dz87jU/Jy4OP5QrI78YErC/CF3Mvl3qp785Ftq/KgrZP4sQAb+5XQjAxDokQNlng74FAdi/gAKuvwie0L5IkjU+Ey9cv/UgrT8a9aA/LwTiP3C8lL/OAznALTORvz4pGUAIi9Y/D91QvrdZS78lFuQ/hb+qP+a5Oz/lB0Y8", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2811a1fae186d32297adfe71001c3eb2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SnTNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "I6CKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZDqUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FCNLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "G0xDv67w9r93vgc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABPQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "kCQSP+jlhT4zVoi9+R0Fv1/+hD9uH5e+gznHv//Xjj5bY729vzZxPuzie79b444+atf9P2oOLz8T6iy+DjCKvzGcbL8OqX8+VTT5v3guA8Dl3As/Q5ksQJ0NBr4BhY095iLbv/cLHMAE2sQ/lYHmv2NrNcBsHkq+VC0+wE6n17/nfwM/p70VQJ5t5T/CzPS+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ff5d862d4347c089cb82cb045d79a2dd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Au7lww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H9aDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VrhlvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uVB5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "u0RVvnqlrD2FJTa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABQQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAkAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "5HeQPp3pTr3Ra869paMBv8cOEz85nJi/JyPFvyUiir4BAMe/BhsqPr9ETT9SBwLAtO+8vnaK874wKYM/4miDv5Y05T+/Fka/q+ocPw+fd7/98ec/8vgAwDGOBT49rxLA2inNPxWom74I1Ys9fZ7mPxDTZb8bRac/n+AaQOfK2L3neBu/crSgPq2Xrr8pSDFA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4b3ba136ed98e991e94ff1b06586ab74
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XIToww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "twx4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uYnavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2scKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PKDwv0esLb9HIB6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABRQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "z2NiP6+Tbj2Vad47zQOWPWzRSz8woEk/g+zwPpgsWb+7fmO/8jMXQO6Qbz7ZANw9PppQv2HNhr+78oK/rRSbvza2HD+U2yw/Um86QN3D274KEBe/Sk46QEFYgD+Oy1o/IQfQv8+Ror5glGi+Mac8wC7BBL8eVam+p/VkwJ55LT0uxV0+cS1TwIBqlb8gtIG/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7b9a62b9126131f7510aa6dae8c56831
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qRGPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "g79vvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uTWpvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "piQbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4nV9v2uaxz40v4o+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABWQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "2A+vP3R9vT2PUn6/8DCFPjxVaL8/AkC/piyNv7XxtL7E8um+3letvhkLZb/o9jU/zW9fPWThET/imoI/b/OmP8eO+T4qLlo+PIafPlNG9b+dWpK/7SiOv9xghz9Cl+89YMlxv+GW9D87jAq/6zj8v+1uYL8qAlm/BOgAwAM+mj83NjY/pjHhPbbuVD/XlwRA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e7f0deb8d6b51e89016ddf13b600fa1a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mn/Nww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "M6SCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OE6KvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SiFAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QxybPrCPzj5IM34/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABYQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "rZiEP/9vYb5qtxm+ImARPo/mB79U75C/Z5v8PWeRxz7CF2c/Lx8PQM+qvb7QqLi9ji2Vv10uJ76bxj2/oRe4Pvn5dr9W7QDAFL2PvwxS0j6vDAs/3+QoP4aNUz9r1wJAR3EKwMkOuL5rxL+/x0BAwCSvy7xuk4O/k9vTP7bWPD+l3wpAqhS8PadInj8iATFA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b8461c264a5d03d6c69dd09aa4938884
username: gastegger
key_value_pairs: {}
data:
  {"energy": "quXGww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fT2Pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "A1yQvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vTeGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "p3RQvvLN9j3bhco/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABaQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "jd1EP0mfsD0G68u+v2bMvkIdIr3YxrQ+Ybu+vw51hb7eIu69UeopP2WiFL38v+G/9kq8vjfkYr4/mQXAZHvQPzhqeT11LR3AOLStvUbw+T1JwNM/SvxgPxlooT6a1O8/3CmKvxx6hT23Ti1AohkCwCI1UL4eQRBAv3yXv6VBhD/FSk1A7hhQv1uvML9G+FxA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b3cb8afa010957793755811681b5cb20
username: gastegger
key_value_pairs: {}
data:
  {"energy": "v2LPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yzCOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ixu3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0NNAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+IiYPBAG/j5lcNQ9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABbQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "0a2dPyLukT5iN2O9QSTrPiPFRL9N2Qi/zGNhv1lXWb93TIO+f/26v0MOkT7g3Qc/GWf7Phh3xT+I8aQ+u9Vfv98tsD+Dpko/WxjpPuS9DUAXzwu/9YXCvzNV5L/DJiW/e2UfwFiJAD7FBVk/mCuJP2hYBECtkoo/je4eQPQrRD7OTnE8B5czQOuuOL94JZ++", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fddbfda57b64614ea0be16fbd634e1b4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hlnsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NdGHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wCEEvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qoALvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kQobv+XQor3M0Ye/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABkQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "sjRzP5soFT0ILzu+wJo+vtq1ij/Lt4O+ip6cvx633T4SUXq/E8Cbv1kjeL9dHS6/RgAMPjQb+z+db1K/KxEdvwfWvj/Wo4s/LFxzv8qt4j83RwpABbh1PmUwqb9veOa+aeznv6nVmL8dnF4+ovNFPy5DGcBa6eK+tisHQFiqXj4nUcM81BnSv8t4wL9O88O/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 776f88b67484e29496b939df23999fd6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "L1PTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RUaXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bopHvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8gmRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XCDBvbL0wb6Ci9U/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABlQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAkAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "qOVeP9WDpT7JeJI90Hc7vvQtZL78kh+/SVuAP6z+Kb7Nb7U/vPuRP+xroL9JY7M/pv3+vVBvRT51SxFArXr2P+Ywkz4YdeQ/KImHv+RB9j5NAj5A/sKPvwR0ML56tWe9LLajvpqoAz8YffK/OPXzvnA6ij9d0jjATJfwvyvXPT8P/2VAnJA/PZ29xr/1iGe/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 16c1ed886921ec90cba2babe23b75d10
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yuDjww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uqKUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hA8lvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ygCAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9pcdvjNtf7w5uYs/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AABzQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ZjKCP45fNbtpIRW+mWFVPl7qyz4kVJe/deKQv38O3z4Waka/CP+cvxgqqL0cRCY/d0pZPrMcxbzqn5M/MpHLPtLgcD8cwdM//yDIv8DPj7/UXx4/TEkPP8+ljb8/SPw/+9LBP29Onr/fJfI/zsH5v1V5/j6xJJw/fbEKQGtqlb50X5C+I0f+v4UhUD+sDMG/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 184238714be85a70f1a690c06121ac37
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nNXjww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "js6Bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9BnwvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IpALvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tVR+vpwWvDuH4QM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB1Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "jYNqP+WaJb+E8WY9YbLCvghQ6b6HD2M/qZtsv+Bu+z6U/1a++WQgvg1xED7Gx+Q/edYBP450Gz+/4Uu/ZJrHv48kwL2Ld2W/cEvCv+AE1z+9+WA+drncP+8qw7/Nsvg7BkKGP4hxuT9zX7m/WPCPv9Cpzb8Ns5M/Z+cBvzwjFcCEGqk/x1Kiv9lIGEDzT8u+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5419f8be7c649d2f435b7e7b784d37e6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nEu0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SfSCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+I1vvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FAVKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "J2Y9vZ9xYbyM+I4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB3Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "qySTP6MzRDxB69A8nM9Yvv+fJr8zsc8+YYL2vonkAD8A16M/ZWjTva1Bz7/7gmk/BeYzP+OWoT+ruEg/l26Rv2trT798j0e/OAL1Pic2BkB2tNs9SnMHQLlCrr62BhO/gSSxP0VTzj/Mb8g//Guuv14FcT+YI4M/1poCwIUoOr1mWoG/CfVqv3bz1r87Xre/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 709d413630624d0cf1b48a27b1290633
username: gastegger
key_value_pairs: {}
data:
  {"energy": "12eyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hPCIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "d52NvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TBJLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nMTgvp9x4brMKJI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB4Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "fGwVP4bk0r7XneW+UvHSvrACAT+VUnW+c1VKv3PfAz8rtjY/mcp5PwyP0771RLu/EuVgv/xgrT9jkJ2/rFiJP30Xnr+JRdU+ymjvvmzdsD99WxfA9UHXvyDcAED7DFu/Sf8ZP2Ijor/tg9w/ZVePP50mAcBi3RRAd6KnvkHyBb+iLA1AKD/8vqCIPL+WB0xA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dc9c0ddd3c5c48d684e7580dadac9dc9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/uK6ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vXJNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "IQM5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9TEfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0CfCvyvZEb5ETJ0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB6Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "AfsWPxPSVD20tQY9BDhVviw+Bj9vl4e/KCXHv18JgT2p84K/QB8EwMWqtTyMvA4+/0I3Pil+hT7ecfq/guCsv1e6pD7dEKk/r1BGwEqrkL5xAYE+6eo5PKwAd7xv+Z4/kJ3ovx9HkD3rdwtAfZj2PwTAr741tVq+5FhBQGSaJL8tPem+XI8EPzGOuL7/YAhA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 96ca50c52dcc30d5a8dc3ba9ad288dbc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "t23qww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vcWbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BmSvvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "d9lfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XW2JP6bydr0hyAE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB8Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "47GYP681373Drde9FeGbPtDxjb8ZUwI+WVtfP8BYkz/3ktc+w4DqPtEhij++pbY//T9Ev5UYcL/1cUU/ZzREP/GFFsCjO+e+rfiSvR3k5z9b8eS+OyeJP4hNWMDzTWK/t2flP2pq3T+/KsA+Axuov7YV5b/jBV0/dP6cv5IBCECITTM9CSERwCNMHUBn7Nw+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6dc834f23033acdfe1faca0e67d9b25d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wHXqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WyiJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "P//9vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FlETvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "z70FwNgN+z7XaRy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB9Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "9btYPwTbPL4u1xk+oC8NvmzkEb3tPKc/f2qMPgqL0Lu5lKO/2OwAQC752b6ljZI+OuqKv0k0lz6Zaqa/hULuv2R+3D5AsCy+UUm9v6wIlT7GnIU/VMhtPwaN6L27ERLAwqg5wP8+Lj/C7L6+zCjAv1k82z6Pqg3A04mcPoF1YL66LB9AmlruvgJsr72hfElA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 127a611cb206d5dd68ecfccc8b52337b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Re/lww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9wCNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ss+UvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SZpPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4C14v4FDMD9I4Y4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB+Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Wj9bP2/l9jyAVBI+wdFPvqecDL/s/EW/kg68v54Thb780dS+8aLWvy8Plz4VGmY/qtsrv48/sj99yJg/kY9gPQZ0k794S+O/4ogzP5Ojbz9BvX8/6mPLv5bvAr9Pb9E//HdXvzgnEUBVEw4/aNZIv0Qf3T+aoQ5AGs4DQFB46747WMi9ZgktwJOlKT8Fbmc/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b2eee7bbd1cac9a0b2ea139c5ed3f541
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zHDqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nu2Bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7KR+vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ATJEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OSiRPjarDj+gT5S+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAB/Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "CavQPqrriD45xAi+iR6xvhsWR7/64Mw+wS77voj1nD+pVCm/uJjtvyKHED/GIbO+LUfOvxRKN79kUqs+p1UEPytt179UUmc/KtVXvnqoEEApXJm/7H/cPyqqab1/KJ89f/scwBjNnj8IEos+S//sP69EmL8ldS4/eAgkQH0cDT/iMGG+CCMawO121T42XKS/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 55e464d425fc85905842dce26761d8bc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5GWyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "g8ODvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Z31KPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bheKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LGV5PikFVb/KVPW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICAQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "wKudPz+7v73tvQk/N6zIPnJdUL/fTbW+cyIJP5omjT46g+M/EkfOP3A0UD+wtXk996sDQLEkRL+2vEc/BeyFPFieDD+ubTFAqbrYvlkeY71rqJK/5uG1vog1mz+IjJC/SvSCv3tS0j8PiOG/uV6hv8c6ZL97Ouy/6+56vy7g7b8KWfO/2nzWvzAbBL/JoivA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9b51c049592df5c3d85d446c6b01910f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cWWyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GY53vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7xzKPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "22iIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pOQNP/nawz+6SWw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACBQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "g++zvtDArD2ynU48lCSNv6JLlj8IuDU+AMDXvhEbGkDhPLs+4XZXv/Cej78kjSy+J3uAP1XkWD3Acdc7aYdMPlWlGEAWfqI/3NySPuGT8L+KXJG+qfVLPuj4KUDXDAG/3Fq3P7nZnb+yWUC+Jz3WP4U0Sz88mu09WLyYvwStSkDX1vY+/sGCPlqdPMACoOO+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a08d0511388d16d0c2f60f3208931edf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rAUOxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+G6Tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Wg1JvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mpp0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zjajv/uuhL9Xz0m+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICCQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAkAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "9+CKPyPkL766QBC9AO6tPkjedD1YrqG/O+6PPnNgSL9hipA/+VNpvzhbND1tBZm/Q+vcv/Hnib5opiu+X2WGv65Af78rGVg/ARzYvz8okb8V/s4/mlVFPwxnlL8FiQpAGMraP5RYij+qM9c+SNjyP3ovYb+BOnW+3ioMQKmQBEDPoUQ/mDzVv9aAuz4xrg3A", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2732a75a42cd467a6062509152c4fad4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "odXjww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "75KAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dlPqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "I/wLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zo2pvt8VQT3hepA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACDQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "n9GBP8Aotb1fSl8+Wo1bvk26Qz6ZiI8/x0GEv2MWEz9EoBi+3eIrvekDiD8YL+I/erydPppMNj+npXG/9Dz5P6x/Ur/CabI+7eY3vxzGZ799LOs/o1Tbv9CMDL+zNCe/yGFmvBLmx7/Gk/U/7R4nP9hbnz+ur/m/yDrrv7rlkr9gGM09w+7UvwOtuz+IdrG9", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 62df40bf78873c08f2599db7e726a367
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O8wBxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8UaOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NQv0vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SIgivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "beKQP/CKnD94f4w/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICDQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Y4zzPdoO2b0FOni994Rkv6JUOT8Z78U+lo8OwMUBwT7NiMG9pxIxv9VH1T+/Wo8/PIJUwB14Pz6dBta+6f6mvfnNmb8R2me/JSS8P0W6Pr1rJVk+3s6IP+ZN2r9my4q/igsEQPTRhL/K19e+DSECQP+IYT8lfH4/DAS7Pz5kyz8hT7Y/u7xBQKJQWT+F/JE/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f0628dbd1bbf245831ffb7fc338c227b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XmPPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eSJovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Uz1ZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JNMxvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oKYWv5dzlT/EQgNA", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACEQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "7MnZPkkvub7pIb6+f48vvyXWAL7VJYa/K7C1PvrnWz5WvGM/xaC+vyt3Gz/n0Wy+QPxZvz2pUz/9wXo/dbbNP4Rcjb8bXkq/7XoZQIIUkr/pySS7sSEewA9RcT+sMwi/cHKWv/Q8vD9FdQdAbIEDwAH97D9toQFAWcrhP98O0r8ecu6/KkSHP6vjSj5Va84/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2fa30e7b6e00b015fba6f6e096ee2a5a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jHjqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KuNfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aNDQvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HclFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GxK3PekOAr4a3YU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICEQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "XFozP2A02LydiVW+cK+IvjO+9j5o246/AvjAvwEo7T7uXA+/Yk21vcwsVT9qmALApaW5u8NPvb4QtGc/YM2ovw/4ub1UrDs/C+QkwAS2Tj9Ckni/JaIEQI4TAb56IOi++rWxPvRIeL/+hgRAse5NQBmbWL4eaiK/e5yqPzfbfb8dDhJAuHWDvoMOS78BADdA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5b25a1473042902fda95df7b77896004
username: gastegger
key_value_pairs: {}
data:
  {"energy": "F9njww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jKKPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0oyFvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "r35cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FVJ+PZ1LMb6RD/o9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACFQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "FrNuP6tRK735yhQ9o7GdvltCgL+sfWm99lECP68RGT8xaJq//R8rv3T6771S+KG/Xzuav/dwk7+buX0/9WDKv+jG9TyLlwDAoexqP1CVaz92vZk/DVr0P59qBL82YH+9Pqnivy7Wv75lg4c/7ga8O9b//7/o2L6+KCtYPqzl4j9pooo/u6LMPxJ2Rj+ykAtA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dc63daa72a7617abd9d3c6c387a8bf24
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zVbsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rySRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "v5y5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/npFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "INInP4qOpL6hEIm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICFQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "FVWUP3hzRD2RE4++tvEGvkmzVD/juxm/uglAv0U4C7+DPoG/Ysv/PlJzlr+sTyq/bMH+vqZN+j+LLBK/zTAAQNSOoD4ZGW2/6x3NP3bZez2eAZc/GlGbPypFTL+K++E/naoSQAbobT+BxdE/VUF6v+UvHr9dHAXA++fwv7fhgL/AqF++O9YxwJrFrL8M39k+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 982fe0117dbdcef8f960d91a9d4fda0e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zGPPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "22mTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9IabvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PBBZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/wn2v3XNpL0eG4G8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACGQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "R7l+PwZmcb2jcdM8iG6bPkp7VL/nNWo//7XBPhwqQT/BkGm/mLJ9vybYhT8m/Eq/f5qZvybdW7+4WD0/j/DavzOZoD5Cjx+9wGUxwDzBDT8C/Aw9pCu7v+7Y5L9UXls+lvpkP7JXuL+bseA/eUqQPyVrnD97Lei/4qESP6IY7D8WpRnAUlvVvz22br+Hx9w/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f973961055543a44adce10eae1f064a9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qNLXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kwCFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "siuNvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TWtDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "F7dRPfZ/ur+A8Ty/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACIQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "fh9sPyIHw742WM+8iryDvV1yYb5KjGM/81cTPYLWjb9Gn4C//I3xP5r+BT8wFLM+/5STv2Vdgr7YpKS/Sb20P9YolD+aprw/R043QH0cPj+L0zi9xNKRv1o4UL+mhsI9aFZHPgtURz9u0uE/Vu/rv42XST4sAwnAw4aDPpUlAcA8N8a/Iebxv080u7+6QAc/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: edc40bc226d327492cdb14c63f27b561
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VuDXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "s9KEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Z9PRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "srsgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kDHjv+2eHL+KsOG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACJQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "4kV+P0eJDz6Iqjq+oIKGPe+FRb/G49u+USPTPh6Nnz9Q8Qs/hXBdvw1ygz9MlEA/OMiGvzZkWr76xRo+orIYQNf/1LzzLh+/AHEQwOIxU7/WqOo9hzAlQPC0eL9XY5W/pipQQBs5Sz+ntdK+cJ1qP0joCEBT9GM/gXtSwNYatr8wrkY+fb6BwOaosb/1avG+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d518f725c1bf347bf783e683f5f53405
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JtvKww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CySQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jSrDug==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4GCPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FCJguwKaaL+YTMG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICJQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "DWCyPjKvA7+DD7i+JM1zvzmeo7+EMjq+8yaZPxf1k79Y9+K9lLjovzzGHb8X6J2+T8iCv1ZHBcAN5my/+hbePiGOXT/pTp0+CweAvzav6r+Qj4k/CSABP7WjmD45A9S//zW4vld3nD5EzxTADa0SP/D2xD/682K/hwC2P61jDD5vUg7AWA7NPjqvqT98ULM/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e416198859f299d61459cce35226ebb5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cXPqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PsyWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ns8Avg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3sgsvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HNNTPrjkKD+GIMe9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACLQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "pWrCPyyThT7lqsk9WOdOPwxbXb/0ZMo+0583P3r4uT9iip6+1jsKv5qyuj9q3gO/gNMVv9tXaL+4iqk+ebotQAAyiD7sLDI+ghqhv8rXgT6hpKy+qH8dwLi5ED7GbDu/ZRymPx87F0BS+ua+zyUwwNaJhD9Xs5G/k1Sbvz898b9mZ08/CtsRv6tQJMC8kps/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f9e94c0fd7ad1ba69b4bedc0a8e43bb1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "70zsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "b5uBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZsDZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "q1YWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FeO0vzp6PL4dcku/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACRQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "RR1nP87saj17KjS/yaglvrR/hL8O7ku/NLSkPlgOhD/7DL4+s7yMv8a+Gz8BARY/7uL4P9tlKz5FOqS/d26/v4/osL5QSwC/DCu0v0YJV7/Q8mM/WuJiP6tP/T+BYVg/Tabnv892pD8pb4U/qKM2vs6UzL8ImQs/VfQZwCrooL6BEIu/wV2DvUDK4r/Tq8u/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d46c20547d2b48c44bd0895e6092e544
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TYDNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "L+GAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MiEmvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EjpYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GoYDQEpGlj99kZA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICSQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "OEBQP4Os5r5izwK+GKWsvsyseb9DjEy/SUrAv8qxjL5OmhO/1H9Pvtr5+r8sOL6/BfVBP0zpJT/Y8yg/Ntu9voF/pj/AXFo/yji4v44sRT9swlI+BabVP6ieeL+D8oi+dAvxPxVeiD8Ju6Q/gJUyQAdoPz/U2H0/+dsXwPVQpz8qJr0+2ZjpP+Cn+j9o3N8/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 16c77d9fbe1add0f028eda13575b9d50
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7WTPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4gKQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/aCuvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RrVIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZQH3PyHIwT1zgAg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICWQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "tXECP0nkuLw7ltk9NbepP5lMFL/a2dW9fxItv2rJ4b5LEfS+Ypvhv9DAbT1GwLy+Sz4wP6x/jD9gLXU/qBPsvvUf078PQKe/3CWlvr/SJcCDSvu/4xBZvhP86T8Ie6I/wwMIQBRLoD9PKLU/I+YyQMjArj8LoA4/9JwcQOGtvT43O/0/zI0MQK6FCEDDNwNA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d91073347aaedaa852a3d252911f5d78
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G3Tqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TnuSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nrQAvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/kEkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wCG0vgT/i75Qx+M+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACXQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "Cz1TP5RzcL66QZU8XddUvqPAQr+KPn4/vkC+v0OOlL5SplQ/91wLPQc3xb9i6u4/2vzBPgL9Pj9NxoO/ToJ6v2L/jT90FoS/NRmUP+VqoD+y4vK/YYHhvwelHD/STzO+1T80wNMEXj+s4xO++isCQGShHb/o1rU9WmcJQLvoo7+dblw/b2cGQJ6JYT8vB+C/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2ef91b2aa232c2474be707a64fa0bb09
username: gastegger
key_value_pairs: {}
data:
  {"energy": "d3Lqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DMqUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dccCvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "o8wmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Pu0wvqd0MLwfSyc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACYQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "eZxoP/odxr6kxrK9ye2rvNvU171q31w/42uQvzXZ2z6GSvw+qimCv35BET8maWq/jqeaPsw6375BJxJA62ipPhJw5TxKdqa/YTHvv1QDhj9iRty/gtIswCfdqz/9DZq/gJyrP/zbb7+E8ydAyyQEv5MmLb4Ykz5A21tgP9qceL0BMBvA51TnP/Hr876bWBfA", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a700968b4a5f49281f99c5791386beb4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PHbqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OrCMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0xMGvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oUwTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7IZlP0fmkbyGA0G/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACZQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "QvIxPy9ngz1QcBO/i4BEvYZneD9CfRM+qoiBv12tiD6nsGA/zHy+Ps+Al796peC+4a7mP1ODBz+8Prq/TXLDPd31+z8FOAU+Xpc2v8SQl7/PbvE+BzLrv/EEOT9jQM8/wVEVQKhoj76nQf6/eegEQISh2T83yMe/vXmuv457C8DC+2g/t8Z8vxSbQsCBmgA/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5b05aeb1d45c8e3f322e2dd00112e9c7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IPD+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mSxuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sKoevQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7YFGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fLiov6FnHUAzG6S9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICaQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "QBSiPieOCT5HtPU8Xromv4fwkj9G6Sa9IoLsv9i7ED84SiO+GXS0vrfajr8QiVa9xrLXv/9WUb8ZWCy+ys/ZP0y7qz4d6Sc+bg9mvmUIG0CSsp08oej3P0WTtD8Su1E+SAPQPX3hDcCFnvW8u0w2wBmYcj97iHu+TNkgQIdkC7/Q0WU+JAp6v6VYQUAcOSa9", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 17d89eb19d99aa31e11a90aef59a0c2b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SF/sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "28Btvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nFPpvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Gi7yvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6GoxwCyazrwGKoO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACcQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "G1qMP61xQj3I1by99kz6vc9SRT6Jh4G/pJsEP9LjdL5obac/mf1uvzhDfr7W2ZM/Gq6ov7YrC7xMWRC+uREovqrL1z7MpwzAvY8hwKVrjD2xtTW/4esPQEM9ED6RKdS+lSokwI/QhD7al9m/RFNYwEXrXL1u40m+sNmVP5Yw1b6PDBRAvdDMv6ya2r5ezf4/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b49465cde4e20a9bf396cd28868fd048
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kH3Nww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "d4Z5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mWN5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kS07vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "L6Pwv44jir/FG+E/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICcQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "bS+LP3alMz7Q+Vg+bYkzPkWAnL5tNpU/0xqJv11Pxb6ThhA/R36Nv1lDar0f/TG/b0ROPvPmnz60IYS/IwgrP2RlMz8jeAnAdO8JwF80QL/7r6Q/POywvZTNOD9MuDXAHnjEPpht0L5eVAlAz1ECwMhjpL9KbQhAZg8QQPbuzj4I2Mo+nYQ/wFyFbb9L+0A/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 454a0348f11d0cb937b9d552d3967159
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hsqrww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GLWDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SRQavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HuVgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DvM1P8TOBD/QYTa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACdQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "S2EgPoFxhb4VY4Y9nPnNu2Xoqb9BbAa+cuhkv8guhD6e24U/3rLFPJeiBj+RH4q/AgZCPx89Tz2Y6AzAXee3PxxsK77U6yU/jgnPP06ORD8L6U8/gMRSv3SyrT9kgZw/ysrQPsm7cb8KbyDA80LqP3UVN7nPCf6/pXgVP7uuQT9l6kDAKw/av/C43b4zHc0/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a7d194729ab2e53d4a71d0990ea0a18f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tgf9ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+wN1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "exQuvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3H5Jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dnGDv9XPpz/y75u/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACfQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "KomtPieguz1dmMW7ynoBv/FoXz/0eEa/KLz7vsora7+KFB4/LkbdP9D+iD6CGQE+jJXev6GLAj/WYzu/IfncvxnFFr/Rzfo9SzglwLc7ib8aMao+0d3Eu8Om8j+Ibry/K78EQJz/jz8r/PK+4+08vyJWFED1jfi/g/kbQOcr2L4ME00/SHUovs1v5r+9uq4/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1d4501a0f103f8c3fd13fd8118eefdf9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gm7qww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/G6ivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xxOBvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CiqCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yuBQP+ROyb4ukKA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICfQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "PzX5Pqj6+TsSK7k9nh0bvxO9WD5gD44/Z97dvxsudT9orAI/FUsowAlcwj8xOzc984iEPgE3XL/mema/09Q1vrKdUj9HRfQ/tKa2P5KWY798cNa/ErbUP2CxDT/R4GI9xPcMQOa/F73WLYi/kB+Dv8z2fr/je9k/vbVMQFPwMD4weLa/Whe2vwcXx7+fmYI/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a7e67b174f3bf51368eef0e1245ddd50
username: gastegger
key_value_pairs: {}
data:
  {"energy": "aGiyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wi92vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1NLcOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8RV9vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6J8ovwXFL76Uh2U+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACgQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "SWyRP/vmVj6/dW8+ode4Pk+VJb+JbQi/ZqYWPvPgjz+vMHM/ne2Vvz4+Kz/ypQY/WtsYQEHqxj3dqlU+IUI0QFKfSj+PuVE/TGRyv5PLk75oPpK+qL/sv0/ogL+qz4C/whWJPobEhj+xZgJANqnGv0Cj9b/SNai/E18zwCDQb78mKzC/DJGkPpAFC0B+ZC0/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 22881f66613c6bad0dcbc2276c1fea2f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "K/D+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cM2Nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RyAevQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zhJ0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5IN2P0i/ib9lx7a+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICiQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "gqfHPgFNIL4YDjY+ZQT1vtSfXj9Z0Q8/2kMdvuKAzj8wNdQ/QwdMPyz9pD+pxQdAtOyKvskTxL9dFwy+EZ5ePgIDvL9n6rm/tRJXv385IEDwwwJANVVsv17uFcA92OM+RbegP48af74MEVg/zghKP+HUQ75wA6q/XyCsPwYVBj/9nQbATKA2PnvyB8C6Rw7A", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 399d866e484ab3bade15246db706367b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "unDRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8656vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0y2bvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Chgtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UYN5P++PN77Y024+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACjQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAkAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "tFfuPi4uS72Y1689jVy4vrKsRT8B6Aq/L+Y2vdtVlb98WkM/+tbTv/zN3z79ruy+4X4LwDggHL+uzys+5+8ZPwKf7r/3GqU/TVMXwCBCiz+kH3e/ucqrvwDNt783o0w/voX5P6UGaT78v4g91qQeQF6RIr9TLrm+hO0TQMZctT6YZ4w/TfIPQOYCrD9H6ie/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 327cfa6146fa919e729a24e3d92f418c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yVbsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "U0KAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/67PvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Jq0Yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eR68vgkzbT3qIVq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICkQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "2amxPkjcub15AFE+pz9fv0WaLb+GqOe+Hk2FPjZssz9bmGQ9naKBv69S0z9Y1y+/q8erP33IIL/6i04/PdnRvx+v/j7H4He/Du6EP4lZD0BLV+M+CDakP+Gn/r+xBl0/cO0kwEBgvD5cQr+/7MAFQOdADsD+c6s/xc6qvzfcKUDtzG+/PIuYvzte678z0Q6/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 332cb264ca8a4755aca5e67075e9d54a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "59zjww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5V6Qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cCSwvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kqtIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MjhqPynQJ7+iXWW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAClQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "IGDRPhJtTT51M809lZxxP79VDD/rJ38/xw6Jv8hS1DxLYvc+ZJIPP3lRpj/QVHS/vH6SPxEfib8DUZm+Vmr9P0Recb/nk4G/3PJfP0duCsCo3Bk+5Pi8P3YDBUAE9XK/rWntvwKTaT/YU4k+/Uq0v2PYjr/pVYo/178pv8XM37/M4IE/8nldvrN4pj8U996/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 46041aa4384fad352752395a44eded1b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dFbsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ICSTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rg/rvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "acAwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "E9X7vrw/vj7tKpQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACnQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "k8pBPxyGQz7edMA8me6WPDs0Y7+e9rq+YU3rvXbRsD+0Udc+fC8jP3COB8CsjwK/KxwBQBFfWj6tVC490tzXP35MBsDe9EO+JE/Fv8FjnD+tSbk+qDDXPPEHQ8A25W2/hWzbPn4jGkBO7kQ/M48UQPvdkD+oUL8+ukYvwDqHjT97nqE+8QhzwNoSgD8diow+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f78c0287106008edc7e5f7dd87515edb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8lzPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "k4uJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WrisvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+bo8vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "U7Mfv+V+B7/0/Xw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACoQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "5/x9P80/Hz4DN4Q+bhOdPT4bwz247He/MCCdv4K25r592fS+K7rHPia6xT5E1QXAnziyPgyB3b7LWKk/HUB6v841Rb8Y6HM/LHLvv3YpnD4XDCM/ly+tv2800L+Lz78/PtMJQI24Iz9EYow+Nvi4v7DZmz+GNEs/lXXxv0sAe7+0u5O/GeskQHnQDz/gyZk/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4886b5c2ee6940495b017bc8ce9227a7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WNjjww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6peIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bwwBvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZSMQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Q1bnPlLVDD+WeDg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICoQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "GWBmP7xbND5hz5Q+tL2fvrxlPr+4ZmU+VWQ9v9uRUb8pD54/TatEPx4EwT8X3oI/Vk+0vxX8gL3xcyW/xtUcPTu4/799Vn++b8SMvpUZ8T+YW78/mMZaP/C08r+XmkK/au7aP6mqBUCux4g/vN/4P4Lg+72Z0Hq+hTD3v4LYRj+F/RS+bq7Uv3yj3L5x9eC/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8f05383ed805f6ce1bde2e1116ced245
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ed/Gww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iUWMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SgsXvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QMhyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "p5EGv52FbT83iaE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACpQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "vdX3Pga6sL6AfoI9W019vraFUj+guK+5i+KOP+NSUr+ehoi/fmuOvz/kbD9bx54/omTXvYXg0D/eMXW/kORgP6smbL64uPq/sK3oPwz447/DUYC/b3zov1FLhb4qEMM/YWA7v7tdG0CD61q/byuWv3aHeb+Vycw/pVnsvvV2nT8D5QRAGyjtv8WD2z/vvYs/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1958bc686b5f18310728f3ea7fdd503b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3nrNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xcZsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AFidvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xRoevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "roENv8l2vj0fuhA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICpQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "GK8eP7i6Or7FUv+9aoD4vlpDLb8aVza/BuHLv4xosL1Ww1++QFyJvzUtRT+rASw/FRwJv2q5sb8xRba/RvKPPvXBPj9iX0Q/Xsbsv3HK0j9fBLI/Hzi2v1+d+z/J0A9AQh40wMFzrz/EIr8/RR/8P2JGJL8x5uu+vbMxQJ2vEL5km9k9UocLQMvyv78ZW6W/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2fd3208b4af7451caebfff32d81f4daf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "p/L+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xTmavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "x9l0vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GD13vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "J8K2Pma9EL+k3w4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACqQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "eUyqP7V8TD238l++a8YlP6iwlz/VOx8+YxRDP2KUmr/700O+Hbwfv+Fyn7/Egc0+tJ23v+CGgbyjGZE9KfuwP9YPCcAgTBe/OAU2v5Dikz8qQyg9PLGaP3H1D0D/UwA/hugmwPASSjxOEwO+gSAOQKoCCUDlif0+wIoEv0Qopb/2Lr8/oxCTv3sGCcCy7Zo9", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c27a881a5e5c5f13a44e85382d520fde
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EOLGww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "x9iJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oWo0vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5pZmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3zcmP+utlT97vfs9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICqQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "r0Y7PGGN2D1DdIe+M/uXv15v7j7YHmG/mdqrv6Slxz98OVu/sXnAPibmnr+odRm+Xqy8vi1C9L8t+hq/59lWP2Xfjj+qK7g+MSn7vzzynL7MPrG/a1c+P4N2AkBwoWm+4o3vP/qqQj9Q4aE+u3HOPsSvpz+e2tc/pfGyP5Euzb8NxsE++5CUP/DaxD9n8A5A", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e96a8ffe4d68459295d9c13a94000920
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Y7cDxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cLahvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yoegvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+yhzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jBCaP5IFfD8yII8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICsQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "bK+xP9v2Qz4GWzG9x7kVP91jY774sZW/8aAlv5DW0z7RhpG/KsdAv+mVnT/s5rO8HCMFPyGohz/OWEE/6dfWv+4g+T9x5Tk+KcxbP9c4oL6uOaA/Bp77vQDrrr+M5qc/26Zkv6RmDsAlwLE/hetpPzE1eL/klwHAhhvQPzHzwr5wDgFA/FBxP6cA9z9QJ58/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5d4a6fa305631a5bd3c52f4d8c8f4586
username: gastegger
key_value_pairs: {}
data:
  {"energy": "50iXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1sdjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8Z4DvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GuBCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bASaP1KbUD+K5RY8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICtQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "7RvmPlefF77fX8u+mExKv3G6gr/wz7u+hqVuvzpPyr8MMxU/tlfHv4cMjb+Oa6W/m92EP2ZuxL4pqqS/ByUxPl+/rD//lQq+XrtVvy1M3T9fcKS+Ki36Puu3hz9qVqQ/+6GXP9tVVL50xmg/dbuQP00c2z9+JN0/569nP2AM/z/i0iS/Bz8KQJF7rzy5ojE/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7d57d6106f10e0a3036572444817f101
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ncYJxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PxyEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HsROOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "x7mFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zTseP/Dcjz9389S/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACuQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAkAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "g0OaPuKKSL5nA40+l6JjvyFrgz6AGXK+lHD0v/L3f767qhI/KJ8bPtw2cb/926g/zWShv+pfe7+pjMI/FhuIvz3OWz/qzIK/MuJFwEDGvb2IfPQ+sNvAP6nRqj2MeVy+xAHLP2THVT/F/bS/HaWVPx+S6z/cRaG/lNCIP1iDnT4Kkg7AChk5QHg9bz+04dm/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2a7820ba6ec3dc7fc2e72ac9477dd7aa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wEubww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "feuDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7IqZvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nKV0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LxehvgJILb4Tflm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICuQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAcAAAAAAAAACQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "ydqQP5ouhr4dbag9jmeNP31Iab9i5Eu/Xt7aPqWdPT/So6Q+3OwDQK75Jr9IDXM/BaURv/8Vjz+Fai2/lhTev7tPMT7bCVm/w9G9vS0Ypj+AbNO/qYsBwP5rYr8mzMi95g0cwElf/j5jgc6/gpV8v1xSBUDSA7y+82muv2Uonb+lQDA/9Ww7wL/Iur/TNIW+", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 65ff25021da37fa46fd7b74c00004d1b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YVzPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "V1+Fvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kNtvvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ysdOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bxKzvhHkYL/riwQ9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACwQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [12], "_dtype__atomic_numbers": "int64", "_positions": "9/QePo/MHT5S6vU9G6aJv8ov1r4eugm/lnXSPSmAyz9qYtg+PJBCPy6zsz9M8hy/rWCSP7r/Lb/OlVw/S0tmP+Ju4b8LZ24/EGIIQL61ab6U67E/ep4DwCvejT7PBjm/jOGDv1d337+I0F2/Inp8vtIyF0BisYs/Shkbvq05DsCwg3u/pCXov2xjBsBPgbK/", "_shape__positions": [12, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9b964d696fc370c06958511820a03337
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rwH1ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ovGUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wANDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VCJ5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2xalvR1yMz7Sqcu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACxQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "Hga3P4XbrbucnSk8K7knP+SMMj+3ZWo/e5YsP75g9b4jTJq/jMI5v1UtZL/SMly/KdElQGelHL64vGo+eGgzv1/XYD9aEUM/3D6vv+pJXr3GqwU9MCWsv1DT5T9OYqk/9XkhPzYPuj42XfS/WsM4v0q6GEACSe8/jyymv3j38b+mYK6/cpCaP24Hpr9Pede/SzgQwMY8/r/jw4G/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a6afa389ef2548f2f0ad7db6633a0ca5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cwQIxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "U9CNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tB7evQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TJEsvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MJ6RvoBlXb9bQt4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AICxQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "RlVrP7sYGj0eHfy7FF2mvH7nI75W0JS/kI6lvyGvmT6PR2S/auDpv3sfXj1irn4+xnzAPkplJb8KSQvAOoC4v6ouV7/V8p0/NFSVvrfhq78ONrc/GMZpPweJhr8FsWQ/9becP5uFoj8I9Qk/eJSIP0Q7E0A08YO9ocAxwJcyCT8G1e8+z/LUPxq3lT8ZIcY/D1wevnRzCsBglghA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ddd3892e145d35a4ec68765c393c0865
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rIHDww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "E5t/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Xi8NvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PE9cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "g1FRPwnhob5PWKK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AACyQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "xQsVPjP4SLyBM4i+n2WYv7JAhb6wpVO/3yi/PsUvYT5FToc/uGWcvxVJlb64jfS/JgkXwGRmvT7AYD6+P30KwJVRib+YGyi9A4rpvz69ur8OVGo/kkYDwFnkVj9n2yk/qVzUP7tu0D4yQJg/BSWiP1ur8zz3pXq/K1c4wMi+2L/bDRK/TUAKQIJ9kj443eq8Q05JQCoHyT40Ml++", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c4afad02a315d63c569e5d52d8769962
username: gastegger
key_value_pairs: {}
data:
  {"energy": "34Lgww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7Z+Pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eVzUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nhE1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6Sugvzaw5T7ZJYo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC2Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "f4KkP0G8XD1AX2k+HsN5Purykr6kQUy/ewhYP6w1Fj8pxro/Yy4hQEZTDr7Ogm+8QXvKvnPyMD9Hx9g/humYv2dUEb6jVcK+ZsC4v2JhtD5+1WM/wshDQC+0Ij7ORU0/XiUJwONc5742JpO/moFEvw5liz+viyhAQNUOP6kzLb8zkfu/xw+avkJcW7+yyx/AFWZDwFIylb5B4De/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 97987fabc8e9de4dcc19e37df37492fc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yOn2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8WeQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Bi6vvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3zhJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7WRQv67Y3z40up8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIC2Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "EgmbPxlXiz7lMhI8p05LPvoCV78ucFW+nr6fvwGkp75ttea9Zl+jPqSUvL/iPzI/OmvZPsvcxr8yRK+/q/9kPxa7jT8Okow/UTu7v8zAKD+kOm4/r9EOQC2w5j7OShG/D73LvlpfpD9TMrs/LjcFwCJGSL+dY1+/k0H0vh8pA0BpeQ5AQ+IdwDypbj9nx5w/8tvmvpD50r/dFuS/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 97dfe30b51c53f36bc87952fd4a0de1f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "R+/Zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vY2Nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ggPavA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ctt/vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ayuivxn/vj1Cz2Y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC4Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "OHxgP1if2L5a/Cw+fdjovBir876WIZs/KZKsv2NZTT4K6G8/svDQvwW6Iz6pBA6/MJcyP4ESoT7Bgn6/IDqQPnHvhb+Eqg1A5+UKv5bWQD9/qKG/FAakvwG0nj/fgqM/zEfTPzSKEj/8r+K/JazkvyJlXr+CL2e/6oAhQBAdXz5xlLG/2YsgwDfpPz+GulK/w6wHwN6fmL5jQsM/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a24bd84bcbd2e1ae5fc496eee9a9b706
username: gastegger
key_value_pairs: {}
data:
  {"energy": "i//bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/yCKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "l+Xruw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aXGGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pz+rvhPVWz2CizU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIC5Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "N7+DP8ThEb7jteC+QcXfPfwngj+Jzhm/u+jjPoXhnb+2dt0+GzGDv9AVlz9OXsq95aHHv53dJT5nMT4/VOxMv99lhr/ZKW8/DIwcP6lT/D+wW7G/J/rcvyh6FT9gv94/ahf9P61YRz7Sswm8l8chwAM5Hb5Gwa4+JCGPP17xEcB9QSg/JVQYPwX7OsBIvaA/wrqjP1ABD79HtbW/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cdaeb648d66df7d2d1c767207012c96b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pQP1ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KTx4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "d4QTvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "C1tTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "O/yFPlk0tT9Z3eo9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIC8Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "wz7fPsj0Mj3eTtI9XI1Zvwjt6b4XkBa97CrSPuodqT+rXrq+2W3EvyedDj9yihC//2m6P6CsXr8qxSQ/0Vddv88p0z/TqEq/EGiiP2MVBMDiU0Y/xgwqQIrrhL4Zxm8/fWY0wH1WpT6hMEq/3l9MwJmAkD9weZW/e/+cPzB1AUCsNuO+Fg8rQNJROD+TxpU/nZdUQJnAV7/a/7U/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7818af0c660b8e2a58231f5dfb457d85
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7UaPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qrd2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2/mePQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TBqjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GeevvR+/175Drek9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAC+Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "r4GBPw9OAr9noDg/7JipvqJFnb8+IYw/YfBbPpu1zz7yeFK+BNmKv6Zzgr6IpTk+6i+4P14h6zyP48g/uAzmP1RXjb/Dh3o+b/oKv41xor4apZi/xB0cP/oK2T++2Oe++s0FwKfmAT65bp4+ZXQlvuM6nb8mGrm/z+EVv1X7j7/osAlA42HQvpNCEsDrAVE/dYkFPm3E/j9LPZ6/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 828e94493fae24f2bcebdc54ed253c57
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zGriww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pN6Dvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xJXzvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZvINvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Rs4iPsoVzr5zY1o+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADAQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "luoHP8T0J71Z/3m9WHMXv7F5U77W6IS//JIJvsABlj4VqZ0/zrbjP0szXb8/Czq+9T7oP2UhDj8Xxe++NJDnPwChyb8jToC/jrriP/1tMz84Nb2/tOwQQIU8lL+HbD4/mjXuvzZer73qZ66+gtTNv6+ERz5IimI/jQetPg/ACj9a5RNAfhsZwM8Nrj6hDNA/8kT+vjGhwb6HRA7A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2c6a98be3765229bba2413a6fff71741
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DwL1ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "COeDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QZqxvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8AAvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uECiP6uVUb+AfRS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDAQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "4B5WP3Mz9z109W89W3FQvj5TvD4NtIm/HZQhPl5QmD9U3Ec/fhRbv+CEuT8Jowa+jOJDP7PMn78dxTw/Sk4IP9ZRrL/TefY/Nebmv5JPC0DvNgy+HEeDP0qlEsD0+cK91wAmPgzOqT9P+eM/hzjvP53trj5nJG++ELh4P9/pCsA7KYy/StZrP2tQTsCja4w+/HnWvg6pGL5LDQjA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 62c2919569f9ef4a73b18dd4481d8614
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hAf1ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FsKKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "E55QvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "p1xhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BCGRv+jemz9cVY4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADBQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "pi+OPqABVL5Dj0m9W5ZSv2vnXD4GrlK/hip5PsArtj7BQKI/f2lgv1mPkD8Hn6g/ew2IP6D1IT6lVQhACsXRv22wkT+sDbk94fqJv0m/m70zSfq/YGDbv4xYCEAdzru+0fupP87YiL+LjN2+kyUCQIdmmb+YTM4+9J4pwFQGPD/U5lE+qle2PyQEyr9sqcG/T2GOvxmv0D/JCQpA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6c94372364fd634824e9adbcd580566b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vGe4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ySCHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4X5APQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pTCfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yCTjPYS7K78vF4E/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDCQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "SSidPrBfjz5OCme+CjOHv7I8Kz0Id80+jE17vzoAfj3c/78/OY00PmgPsz6Ou6e/G2JgP3QMwj9KfjA+mDJoP0cBxj/6VJE/MZ24v3ZdcL+2RMY9cCb6v5UNgT9xdxY8CoKjPwaLX79u+JU9T/60P6vYeL/eupQ/S/4PQKMLGr/eprG+H/RgP+RtBsBLrQS/M763PoOIJsAmxuo9", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 707b6b2b03bda03faf00ac98944d1c3d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8Uyqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RN9dvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kdJsvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oKoivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LJqiPwq/PL+IgBs/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADDQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "xhB5P7350r1YAKe+bDiTvn5DVz/lMVs+jFZTvnM+Xr8iLmq/0wuiv0kxm77iMwG++2yKv8cS4b7c1t2//sjLvhWQ1T/GSwG/K3ESvmuDpD8whME/LQMfPzLwTj9gdvA/08zVP5G0uD5cdIO/ttAGwD0hPb8D8cY+oRzVP1VjI7+kdE8/a6iTPxpJs78U6J4/31QmQEXOdL9P0hY/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6f0bd26b5ec21277b7cff2b88c8f2647
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fE/Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HzF6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NLwZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EsJTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "P6l+P7+asz6Yhhm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADEQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "0zKyP1P36T3eoYC9qy4XPtBSgD+VD4s+NWOxviGv8T6TJo+/rRpkv6PwgT00vWE/GqsJv6RQUb/VeKe+He5qPmapBEA5gOA+m1fXv9YJsD3Ux+I/oQhNP8Uvmr/lzhU9BaWOv/eJ0b8GCj+/bAqOP9Y73j5CLsS//ByxP57NoL5L3RHA5NwWQKzQFD6l+uA+OZyzPwnQtz9Fjuy/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4e57bee271d7fff401185b3367496478
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uH/gww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mpdzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nP1BvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MxhDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QfGbv6Usgz2iKIA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADGQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "r15jPz9q6r2psIw+yZGqvifHpj0bV7m+rtSsv2iCvjxhOho/VFZlP1gvmr5AB8Q/F58Iv2i7cb79fPI/zY/sPzrzYL3tlyq/rbl1veVogj6uHdi/0u4kwFTZKD5VB6s+5luaP1bLPj6jDvi/yl5JwFWRsz2pfJY/NrJNv+Gm2z6b2RzAHXRbv18llr/HGhdAvW82v1u2ED+EqSdA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d4dc94fa22d5e14ecf419bb2708ab75f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CePZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fnR6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CHM7vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Tr1uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "h/5hvysYhb5y4Rg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADHQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "MJqRP9uulz1hq/u9U7chPgwfib+Yf7C+2DhzvwH99r6Y2Yy/d0+8v2bzqrzY3h8+/edFvyI6mL8HumA/ckQeP1m/97+l1lG/qXYBPwcHkz+qg/g+U3cUQCmipj3xBsS+WfG+vgOzgr9uTvA/3xywv48YBsD/fFU/c5RsvwnEnT8NW/c+L1pjP2N+BECQ46M+xEUjwDSr/j0bUi0+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d7b69ae43c21fccd932053615c42d9e6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zsDPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "I01svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1J0nvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rmVCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MlqHvQMJSr9SLNc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADIQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "05MJP2RssD4Jm1g+bNtEvyGA1L6IMb08qrH1vvSxqT066Kw/EWJ1Pjd1oL9j68M/95Ssvz/5Ez8fU3e/5uKZP/cihL+gzuQ+jNzevWpU5L/n2Dg+1ZaPPUYCoz99oF2/Uv4lP8ka/z/yftC/06QQwLn8iz8sASm/Q625v/LXSz5WFf6/VXVtPgNf6b/fwRxAZkgLQNmzub9DSHQ+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fe16dbe6487af8ad1f79a144dc6e3d7a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "90zHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nGuAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8guvuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2F57vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "z06CPyoAxr1vL4k+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADLQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "81wrPw7eRz6R8d09tRAUvyOj+74rfQw/hqGlviO3xr+5KzM//ySSPz0Spz+Ydkq/hljLv7vU2L7a0QS/nKIWwC2UzL6yFLG/5X6Tv4GyiT2V0ts/HWP3Ph5xyD/v6c6/P1jcP+vbqb1RqU6/R1XdP4dRB0Czq7m+3T34vnvT9DzGZRpAXTP9PyEENL5iIh0/vyv2P9y7Xr/X5MG/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 37f8dc1bdd68a71a56289753e1c8067f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "L1THww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2IN5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "he/9vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "58VZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zja3vuDbRL+oGF+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDLQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "JYI1P/ULCr4yXDQ/oxi8vZGrm79CMoo/jmqUvQUjkj/xi5E+j2fOvJvOMT9Kv5G/68i4vi/ZCkA1LVQ/lROLP41io77NAES/ETFjvipOSr+Z/pm/Ju9rv/Y2wL8vpVO9lz+oPI3cqD8EeQHA+iWBvte2nb/lYwzAUbb4v1vckb8UMuE9zP1xv8pwJcAc70m+fzbGP9YHwLyouLE/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ce837b6eb8f301926631897f38fbd761
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PWnFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3dNlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "H76MvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "znQfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Dyjfv7nfMb/zcc0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADMQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "VkSvPpXY3z0yZ4++hsUXv0Fgdr8v69++r07dv+IQ8761X80+sKhvv38/0b8XMlo/sRp7vVW3jj+9Ytw+KLaIvoK4vb+7yNg/Zzumv+7TTD8tLGs/yFWov9sXKcCcPzk/e873vzdhyj9AzXQ/UBIwwBlODr8H9iw9j3zOP6teqD3YcoO/J6/SPxotPL+UdOO/xCgiQCHvWD+yely/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a6c03bffe4057a2dae64115e923cf208
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O2ziww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MH9lvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YkokvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mGw8vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YtvyPpayzL25x5I9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADNQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "vmpNPjBSxz0joaU9lglVv+a0TL9dwJE+4j0vvhJJYz/b9X+/8I20v49Q0T6VOK2/mGoIPy+T9j+OhL6/DR7pv5+WKL/TEQm/gbEGvgNrwb92lrY/FCKBP2Mn9r75jo8/0HEGQD93Zr4u1ME/8sq8P6oA5T8Qpqu/fNgjPkpFI8B1naE/U84Rv6kItL/Z/BpAOVECwOaoRj/BtAnA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d1b47dbb8ebedfa10c711c4a75942643
username: gastegger
key_value_pairs: {}
data:
  {"energy": "12/iww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "q+plvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6L8HvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sfpDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "X0EiPzc3Br5FgWa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDOQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "Erf7Pol0Eb55sgG80jBAv/AFdD4BPAK/rq7LPgscQr4auLE/sYGKv6AhWj5ZgM4/YRTavzsE7T65z5k+Q4Qrv+VIlj51DO6/ahqiPwvs8r4K7wpAIOzMvxqTFr+BkwlA5hyQv7dzjT9oxw9AdqquPxzGpb4AtIq/Lb8kPwP8ab2ZoAvA4BAZQKveHr/dK3e/uv5hP9yjgr3Qu07A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1627d679459b05dcb7a3afe4b98366e8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6Pnbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fsgrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Zvm6PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qydDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HY8Jv5sbK7/4U6O9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADPQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAkAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "Xh2LP3usoj5P5SU+QiLjPhulbr9Od18+Arb5PkZkvD9hCeK9fspyv9ojU78s/5i97LsZP6M2tb8KLo0/7dMZQHGtcT7co7s+Cj3Dv2Cerz6e5b2+cm9fv9nXyD9Fz6G+FnqCP0XbGUD/YWq+EdXMv73XA8A3IcM8QqWSv2mfMcB5Ngm/uFwlwMGFAMDetVO+GVsjwJ7c4D5HFzG/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1315f0962400e0fe1e5892cb2a994eca
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YQXYww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yJaFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DJJ+vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DYlLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "S7DUvygsMb6CkKw9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDPQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "GfnFPhMDYL7Thre9kIwePkvxoL8VybS+CDQwv+uPDT+2nFE+m83JP9RohD6qxF29dcUAv0Amwj/A0OY+kYIlQGN3KL9micO+uqABwOnGGD4CeUw+QkYOQHik179RBSK/NCsjwB4Seb+Wn3y9t2JwQB9exb78HMy+5SXxvw9Q2b8ZW52+DeExwGc3mz+EWAs/4ZNswBAoaD+i3wg/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 23516ff851191e8c2943fbfea0e5571a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Tebqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1Qdyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4sgDvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5n3cvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MsmoPuELwz5bfJK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDQQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "iFwQP0LQkz27GzC9eRE6v4zlmb6Jpso+kNMTP79MTj/y9Z2/ud7gP5eAg76uiSA/t1LovpjjNz+zKAfA5ZLIP/uIZb8AZsA/883Ev8vvCr+eHyu/Dqavv7xkp77fevO/iaT+vvJFpD94FELAtECLv3Vadr6P8+A/1gatv8i1UL7ixDhA252/P9Lhqj+3Nbi/b2Y1QGQCHz6L6pM+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6952004b6b978990dec3260b03b3c2fe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZtzZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Fvx2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "batZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "O5FAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5nRRv9iBA78Y7Jq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDRQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "uz+QP5ZQGL6KjAa+uMeVPd1ufb+X/yo/HDp2v6bkIL9jld6+JFvgPelcvD1PPKS/ICAQQKtnSj7HrHc9Fn0av+WDsD/AQ3+/4bnJvxnxJT9XsRC+dEuVvyWYzj8Km+i/VqtxvuTPL793SP4/s1DJPpVjx70QThTAdmMmvwJWQD71Yv0/ep62PsMqA8BSRBw/RHLWvw7VsL//skW/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 95ed851eb837ba069abd498207078a4c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vPO8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uwyHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mDIwvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0Axivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BMpOP+DWBT8awHM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADUQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "lVeLPkq0IL7zmRW9/BB1v2e2Tr8qaZa9FU+SvwHrpr/Ah4S/LTzcv+OJT78snF0/5n8kP+aWCz/SuJg/kn2JP0Mhur1rH5a/yRfpPvxwHL7AJQFAcvn+P3x6/j4WM32/bPNRP8WmHL/xuQ7A87TbPz4IPj/7oZI/Gc+FvdK55z9tSqY/R6iCvxuQ0T8wc8w/LhS9Pu4QGUDxggBA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 15fa8ec428d4e76c35a025795e51f911
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kEfHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NUJ/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WFeFPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kPaHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0GHevgXAeL6IEWK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADVQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "raRvP1stKD7mg4Y9P65VPr9GLD+ur4W/5GmYv+Gfwj0Le12/pTWCPk/NS7+yYWI/o3WJv771gL9gYzs+zEVqP/DAxT9d69M7rd7yv+ZFTj5r980+LbmePsalUL8Grvs/gGDpv9dtijuAAt+/jQi3v0+SXD87C4M/IGTSP83Lf7/Wj4c+uoYfPxJpUT+OHQLAUI3Ov3I3+b+JaRM+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5379b54cf9f566af953531c804e7bacd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WG/Fww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jKOSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ObTIvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SBiGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xJTYPnugtb5D/2S+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADWQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "nn8cP5h4k74du9i+10kUv833iD5lCtk+dzyFvxlTFr/X1G8///y+v7cyfz9fbLa+yV4fva4QlT+9T7o/09njPr+b6z/4eBBAxU39v5BAwD6ATGm/4bEvPV/vk7/FHru/gh/jvqUx579+LRLAae6HPwEDEz+fl3C/50LBP+oghr/grd8+Dc4AQEql076Xb4Y/BakMQHZxxr9O+Oe9", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a76f83783e9614651f6818fa932be5a9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KvnXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wr2Tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JgFqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "avpsvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BkcZP4YDyT8M6uu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDWQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "bn9BP7DHiz/ZTRa9SmSxvjj08z+kbKy+ncy7PFHpT0DbBBW/3lGRPkCdnr7o8CM+Uv2iP4Kpsz8ammE/e5C/P14TjT/V2Vq/zUMHv+BLX7/0XDi/q48eP36Kjr8NX5A/KqIBPyrybECWCpc+qrwfveg9EsDfKFQ/8vU2v/6oDMD22V6+OCc1P+X9VED/Mri/CchkvzHgckDPV06/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 35081c75d515350b20996a0441520dce
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DF+qww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jrCIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bjVrvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wJNWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YTKVPpTBAT97SVu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDXQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "TFiDPm0G8r0FrC6+unq9vkZtm7/UQhU/B+5Ev8T3hT89wGy+dJYBPzN5EL/kpNC/rp/CP9hGfz7FLuk+uYqvPy2B4T4uqbg/snjZvuXAWL87IQjAppdov9evAsB/gpc/EAV3PySHhT77mAvAshGYP/0mtb8IBdG/qmPpP1v3kD8kxk491vzmvxfNQT95DQK/ayPmviH4C0DX6g+9", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 202b429034f8643ec1d0f346de5cd4ac
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vIL9ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uHaSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2NLDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BARDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+MJEPvZ/Tr+PjbC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDYQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "bsZxPzUZjb4Swr++OXSKvlLITj5etRo+NqybvyR7YL8iXzA9hIVzP9k/vb/BU06/8lj7vnwJvz+a7Sw/ok7ZPr3mBkAp7CA/b4EGQLalEj/EttG+QqjKvh+e/79v7xi/f05BQPokoz86DNq+3GFXv4C2E8DrIsa/MgQXwCa9W79EDsU+b1e/vuleOMBWOkY9TP/Evz4f7z99lI4/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7c41d83130b44eef9fead8f73059e8f8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ilqqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "28SBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kzgrvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kbtYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "g6PEPppChz5Xz4m9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADZQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "lw6HP/V9ZT5WE4k+ACO1Pb+RS7+r5S0/2DgxPx/quT+LoJS+pt+DP2u3fL8Tkfy+SXlwPmi6B0C8D+U+tx2tv+TUHb/DMLU+yrfFv1yl07wX2xG/eBgQwKEfib9MJoI/Dll3P5lY3z8yar+/GJmVPumOpb/CrM8/dMI2P3GXLUCCoNi/cIodP3Vsb7+HmL+/e63vP6JS1L+mILq+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: df782f35f5c2de51c499cd7e0ed4720d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "o1qqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JjiFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NUWgvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sk06vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9gtOv+AQMr94Yga/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDaQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "D2qsPioRjz6VArw9bBz8voogAb1bXHy/hF7avlgENj9x3qk/nqmUv+b1qr/Ffoe/cLvNP2Ckjj5FkaQ80IT9P5LyHj8yBmk/lv3Dv3ZyNT9AZJ0/ZUZxv7+8A8AUxY2+rzcEPocQhT+MDxZAvP5KvT4Aer8Asv6/3+5rP++bt7/eQ+q/pc6Ovp6tNL8X+EDAY0kMwJ9GqL/k4LK/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3cc100c9dd465667c0a0b9332b819000
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FevZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qYeIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qwkivA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XHeDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QiG2v0q1T78zxJU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADbQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "meiPP0slgT5OsUu+5tK/Pp8W1r4EB4+/qEdjv7GWZL8yg+W+dDJBvwVeD78EyHo/zdkOPzTDUD4fD5I/ZGbTv5H5ej6igAw+qxGSv2aalb+ByeQ/53UnwKuOO70Y4ow+LI85P9s+Gb/8zw/AoBnLPsOIvD/c0dI/ylu0vyFv4L9ahFi/Cn60vntV7j8S2JU/CQ2kP/LloL4u/+I/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 72560e4170560de3b8e58977701bd580
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ABDzww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JXd4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wtuDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RIk2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "toQ8P1kXX78RAQc7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADcQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "5PyLP6aBBD6kxEy9WoaZPrLlmj+UBy4+1xCIvw3zjT9Fa4M+babOv2VRA75BcUw+5zvJProhlL8R7HO+yHbcv5W0CkCj09E+vLAWQFSqST5UIa29Su0twHUU+z8kY+s+xGhhv10Dp79endK9gewrQOAHkz8uHJk9xJyWP2SWDcAg0Ba/N44KQLPyBcDGZNu+IptIPw2oSMBmZQC/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d37601d8021fc939b627253d7355892d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fYTsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pwORvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Mo6RvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xOqHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hhuQPjdUDD6lLAO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADdQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "DjMAPw5x1T7haJo+bBBCP7jzvT8S/4M+7GN1v2KTrj4xVUY/7kcqP2uFLr59J4+/Z9ysP/zWjb4keJY/Adftv44aZD+84T0+wvzpPzTFZ7/4hhg/e5mQv1cYwb5FsvA/kADEP6rqgb+vgqW/oPV3vvvvNL96DAhAqRAWvltUrT6IAATAHfp2v0+LWj+tjOG/r48Fvr/Bob3CtD7A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a96bef8725e80df5c38ee47296edfdb8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9P7Xww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "prZkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7N/1PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UrmBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "r3ebP4v9tT68IjC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDdQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "JD0QPzBnUT4bLXW+Lgq7vgeDHr92002/e7uzv29rQr9dFtc9Ncd5PoVYHj9wo3E/3UGEv7EIgDlah5c/muscwPYdub+80mq9WfzUP3N9AD+lB2m/u7dDwGZGsb8jrUE/hYamvo6/hr+aytq/qwclQLFZsD+bqmm+hiAGQE1TFUDPHzO8b2U6QMPnaz/U3jQ/34laQPPSwT/0Rmm/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 739552f2f23c46154b81a8ce10f30734
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6Viqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QgqGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0ecjOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ElKHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mpQyP1kXP7/SxgE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADeQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "G5GVve6idj5sFLQ+yOViv6QS377/5Ba/fkK7v1jpnr/MduS9f8aSvm7rY7/zD7K/AgLpv0tOBT++r5e/89RUP3WAHL/EmXw/6HckwGzjnz8lgta/mSK7PkwBvb+fvro/TqQBQOZc3jzrE8c/KIgIQB1kXr/uob8+bV8HQK2AjD9fHLM/kYoOQE0smb6I6O2+TmkeQP/ls75A5x1A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: adc8d689b7d3bc8f22803c243d5ee76a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G2Liww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lbeLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NWNRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XRZjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PE5xPomYEj8TCiE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDeQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "TJJ8PsgLrT4I7lM9PoGAv3kaQj92nTg/1zrqvpvgwD99E72+sGp1v0c7nz+P0Ng/Cb3NPhDOWb9VOmG/Kf1Pvtfe2r/jkxO/R3kOwBiU8Dxzye4+fgdMwI5cFb+fLY0+EC8tPjbRFb+r//S/bfjlP/WEmr8cf0e/2XHNP+Qv6T5mgSE/ZWgbQBXmyb5hpRU+XiP3P4kmlz8Kjq4/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 596da2ce2e65bf98c62b6665f2e2d43c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wxXzww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AANhvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AI0SvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wF88vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jzaCv+/mKT0/NXa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADgQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "f/+tPhLJJz19O+I9QOpzv3v22r5TP6c+bBCtPjhqKj/UmZW/6fnhv+uTGL5/aSG/cJG9P/nuP72Kd2w/bs1+v1hwHD8Ni8O/ghmxP+D/kT+In9u/h6ymv40nHz8FFR/A34OXP6XLxz9mpCfApKPAPzz1E7+eCQBAZNSfvyYqi7/XTrg/XDkVQJlK4T6/Ddk+AhMMwDnIp7+BCrM/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3c5dfb93b7dfba470a7968d893b3198e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "obwExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "x5uMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aM56vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9INavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "l1YjvsGLPr0jEDc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDgQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "+84ZP6XYzr6cQEU++J3avovPH7+rvqU/FhzSPqEBWj+OqrS+CHSXP6knnj+hkri/XI3dv1cRl7/Gby8/uNDuP2Hi4j4XcuK/UA7CvCWdsr9I7/o/1PCGPxZxFECQefS/G7gxvxsbAz/c+wRAYKEmwCdZgL9x2Kw/wFy2PyAVmL/grS++8LxWv0dtoT9XNr4/liTov9FF3L98DMS+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 44019180859c1e13307e350b07bfb6bf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MGGqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jNuIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iCp8vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OPqAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "32xTPiVYnL0f9Kw9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDiQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "KDm0P7Kagb5mLQ6/E1IEPwqVRj/nUUa/ieScPyt+qL8BS789DfQvv7QQRz9r1qi95+oVQLrkHr3Ahoi/t6g5v+LgGL5zWYw/OayWvUfDvr9R/Ds/Kx/Rv3V7xD8ycNq+OVwevu2+oD7jnPQ/yBOwv7iLBUAwrp+/zOM3v+chBMA5q2c9JNR5Pb+lBsCge9A/LADhv5oig76Q6bY/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 11d0bc495c2c71125d0f595a916efcd5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iOnZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XfyNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sBvWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4uowvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BRcrvpijhz77eeO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADjQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "dSMlPwn2kD4BHBe+kZVWvzJW9D7hnu2+y3Wav0Mmoz9RK1A+kOm5PwQ1vT5obYa/viKDv5t7TD/a9+a/XXqIPxCfoDx2daM/kxsRvtcfST99dA3Ah6iMPlaC2r39+gBAGSzSvzBcSb8nPs+93B3rv9HilL/N84I/khsCwJkjp7/sJIC/rT0SQIpWWL3Ksc8/Fjg4QOnSqj3WOUs/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9a23b849b92ed56cd8029f25413ce349
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xQD1ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "v4CWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ea4vvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8IqAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "I0oDv5nwa7/ZCKS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDjQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "TS7AP8katr5FVGS+wkzrPuTkIr/gAYu/eUFsvyT2ab9GWQa/1T8kPy+wI7+xTBXAh4rPP1FF6r612iPAEvitv/+N0j0nbs8+9BX6vy5ukz9ldKI+QYAhwETxCkBY0L4+PIhtv7oX8L+vwtC6sDvLv68KgL9AQbG/X3y7PxfdGr8PM5A/jv8KPxyCi782Tbw/KsoYQJuLoL4p3eg/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ede17022b19a2cf14b6f8fa4fb3c0cc4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "84jDww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jGVavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JZZUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "A0Alvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OWLVvyI3g7686Mu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADkQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "G3OSP9g8OL2wdgQ/WeVcPlRKW79mh5w/Kz0hP6/ZHj/52hO/JMkXQPjIkT1qSVs/VUMlQPGr+b4jhNc/tkKJv4XPgr8gmW4/Ta8HP6z8rr/PLwJAL0XCv62uwr776sq9tssgv49J7z4i4V+/46CRv3o9kD8J3vi/sVwEvxJT2D8XFCDAbjwkwEFUAb8q3rC+lqIFwL8tgD8mWQ/A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e60a3fb608a9dd254c952f0e2cd09e2f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cJD7ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xQB5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PEybvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "p1orvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uwqVP2joHzvpQ6c+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADmQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "PyVjP8+CMT4Rdr0+uEzdvqUCDT9PBoo+OwC0P6bmbL9t/Ia+WR0FP80Dx7+c7XS/0CFov05gl79zp4u/P5VbP0AEHMA3eL6/k2+sv1gMGr1KJM6+YwjSv53x9r+3oem/49kRv8x61D+DS4I/eSImwDBJyL9mq+q/6Q3BPxbhiT+UmZc/MgoyP9p3/j+sM80/E4EjQObpgz8Exbg/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4605f6b7174afa0e9cd4c22b2c40e640
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OuL2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EVSFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DRyQvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HJpCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "g8ASv0oMoj49frc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADnQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "/pBlP+H7kLuqblg+iMryvSALez9N1N2+mijHPh3yo774IME/Ldxzv9TPzDzS6sU/lcutv2u2XD8qPtM+uxesPdHj2D/e3a+/FI3evxODCr/VbwU/P5oJwMLbzD9PgMY+rAaIP+27ob+ewSS/KbfuP5u5+z5+I58++q2uv6LYRj15ESNAr8QKP8BvCcDTt2K+9wzYP347pL9TcNW/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 354282d9f2d9b1e2c2bfca104a92ff25
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QV3Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+rlxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tqJNvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TFE+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cLEivUImiT8rGAW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDnQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "yf88P6AAljxKsTm+OYfTvkeJfr8HbQO/wo3Av2ONJb6ro3y/mp9iPu/Zpj89qxq/Wv+fvlltDMDknb6+NVmLP2396LwbFaU/LHmwP7KohL+VotI/EaPPP/fwlr4WWUC/wtiGP6V1bz9B5QBAvm2Mv/8bkT/oHXS/iugdwO4cB7++DKe/junXvzy6AEB6FZi/o7/vPg9jBkD1Qvi8", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 45abc2d518875417d9cd6771c3f0639c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GVDHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zCV1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vAJRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HeVAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nfT+PYBgzr5BSA4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADoQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "IAvjPjqu4r6DPhq+t7Qlv1Xztb+hPem954ucvXgoVD/u9Oo+FPbNP1pGOL9G8hm/ND26vzuoBj+t02A/VuWYv7dlsT945IC+scsdQGLhwD6jCQS/q9RSQDvhyTxKnlu/Ldvcv+scZb8Ee/s+MhkrwN4dsr/iGyY/DXr4vzFJgD8LmNw/IZYWP+HZwz9Ft3I/DJMQv6rjGcBVxw6/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 231fc2bde37177f0e1fcec72c729aec1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "s+XZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MQh8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "d/NUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "U8tGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "smNzv3tOKr/jwrk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADrQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "RSuFP/Prab6q9BO+tI+NPw/pNT5d4Ii/Ofh7PTZ1hT4eEz0/tI/Pv0Zs8z1qECY/5lkXwLntA78jNqC+oFMmwBTxsr/z+L67GT6aPnCUKj5IbOU/vCP3P17enL/ZAiI+g5xbv31Tpj8gI4g+3xTmP5FmzL/C3Jg/pyExQOMg079VTxq/gnP4v3C1hTwapdc/OSRdvwEvDECUUwu/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a74e270abd968d7c9d1342549fc7a609
username: gastegger
key_value_pairs: {}
data:
  {"energy": "B5feww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "B0Vzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VYf8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uQLqvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WkeRP0hQvL1JaMe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDsQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "IelNP99g8jloZzK/HK4bv+sPgr7b7YW/H7nKv2uHYr6ECY46tKyUP0IbfT5+vAY/TQYoPtQVhj4kw70/npmdvw7Fkzy4uZY/DyzYPwbqGb3gJNq/NPm6PqY2+z6edC5AheuuP/gDJz8TJDdA+KF0vyCP/r7qug/Aen0qQC+7BD48mcK/SBf8v5ogJb9n+RHAXvOtP1UecL4toSjA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 834109ddec0147ff7e2a38ec25113c96
username: gastegger
key_value_pairs: {}
data:
  {"energy": "N+nAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rpqXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "t7OvOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fVmavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tviEPmSvD79vu9C+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADvQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "DE9+Pi+Iib1G0wA+F1U5v9BIXb+jGn4/GWNxvidKg71+Ppi/slHfv9Y+Ar8GYlE/v63wvkA6Pr+RRQNApc8wP00n1z47jgnAP3wjvw44DMDZWic/RUbOP3lpN751lwnA+exyPy1QvD9bufu/2VSeP74WDb8LKzw+2z7HPjr5pj/H0yo/ry76PvkoGEC53Io/JoNSPljbqj7nyEfA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 550a30a707c955f429bce9c0a45bdef8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "il2qww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9Px5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mL0svQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "js1Ovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XD13P7GnXT7AspK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDvQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "Klh0P8CngT4VB42+n3FNvtqMnz9eHyS/FOuePopQQT3GLYM/eeVVv0ARRz+Dlyo/YfuLPrr5Xr9Fzrk/jf2DP3SAeL/Ho5O/IIIvP3SBBMDws0y/Vlb8v0Ihfj/o1ZU/pYFGv4/ffz8ueMS/VgIGwCoQ/T6IcgNAp9j5P+qSNT8GV2O+zlexPe0LE0BGGiu/Mra4P/KcSb+l7wrA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 33cb468a30d4c95594acd043beadce74
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vr0ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "81eYvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4c6FvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dshtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xCXnvqn2ET8nwqY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADwQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "qtdgP0CQvjg+8XU+ZDyivBkE2r2jsaI/e5O1vyxjij7sOU0/XtUMQFjhv76y5e0+mzoWQFyGUL8cmro/xz2EPhMOzr6aexlANffAvyWOrj/0yV4/pBdBQCo9Vb4MocK+pQTbv3W1R76/WwC/cPXCv498KT9+M8W/+5YIwJ/qMr5AFb8/QwuZvx5J1T/lKZu/b3HbvyFArT4s2CrA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 78752ceee36afeb50a6fea8becafbc51
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0r0ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XqCUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "l3X/vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BamEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NBGWPtGRzD5xVVm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDwQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "sfKSP0zhFr5GDY++1rSWPobarL9ULAw+e06Dv7X0jL9cTnc+Sye/v2BBVT59Pdy9s+JBP+9OG8CFdcI+AuU8PwAohT8TedE+/VgXv0qhqj/ll8A+5uKCPxzZLLwcZtS/RCJ/vx4gGkAoVjU/pN3XP1lfHT9wpPy/bz0LQEaho755LDw9cAvNvyoqlD6335i/CBEewN4xpj7rxbc+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4c5c75a612a1aed97a155a6f3ce84a23
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hXPiww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gCh4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "X0VGvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KJdGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PX4vPoUl/r65cKC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDxQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "kRkuP+JQUD4+3fu8qzl/vnRjgz9nUCA/gsi/v5oq7D4FXBM/2Cepv2yPPL/J8QW+LeJ+vQPY8z9m7Ik/VA0VvDukXr+GtPe+UAkjwASWVj/vFYE/0ykDQNTzAD8RXh2+/lZLQB6RQT8J44C+uz/LPmSjBMCs8Z6/nby7P390AsCa+Lm/CPcZvtGkCMB+AQzAZgE0Pvu+PsAQ+Su/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ed27eade02c8f9c17651477de6ccbacf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mlXHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gGOHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rmcIvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FK1svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8tKpv3UCvr+PGVC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDyQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "jrCHP1mb2z1rFJo+hKqdPk83oD8eceg+M5bFPuWFjL8lSnK+p3OOvyqIoT+m1P0+3VQOQLCbID6/9BY/Q8aQvyqXiL+N7pi+yLHcv8KUPz4XNTg+xnuhvm8VgL8zwci/LEHXv0g8/b8PD8i9yKaQvqOEb71AgwbAu9pkP8FzAcCJMWw7U06Xvh9s8b8EOgzAzIgzwCyAiD4xfoo+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b125e40bcf38593b4f64f2b5251034ce
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pnvgww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "46eJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "v0kTvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Vn1uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aQD/voBgFr+eBze+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDzQw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "Rqa2P2GIRD482uU+m7zTPhAljr79qKk/+w1MP7VRPz+jiUW/5yuBP/qVKD/1ivY/gwbwvmQCFj4rSIa/xKGWvzbnPr8qxoy+yMU3v4rldL9w84U/lhYPwJ8dp79alSq/EL4ewJuRgL/prs2/4t2kP4V2xz9BA8y/2kMsP6MG2j+PYBnAfZ64v/iqkL+ead0/VgAaQPDehb5Kf7Q+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e8e5c5f65712f91eae57c9258491d853
username: gastegger
key_value_pairs: {}
data:
  {"energy": "L2riww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8Z2Yvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NsikvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "x9devg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AiuHPh+iUT3ZfFw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AID0Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "wayAP4ZJnz3/QoK72eMBv13FTb0Ic8E+RpyyP+xwbL9zrVq+COiSP+R9ZD+505y/Rxdvv4Yzcz80oQA/KuOjP4lfxz90RwrAqiamv7fwQL9t5T6/Vnskv2MsT78p984/c4LkPwA3Ez/Cc4Y/DfRIv/Ioub84fiRA/D3JP1SJwD+nupk/7Z4DwG0zLr7Bhbu/e0yMvwud67/Obla/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a1d889a5ad962720d06c01e9647ee442
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Lf30ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7RFqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6kIsvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MgE/vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AU0EwBueFr/1LRO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAD1Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "5YwpP1uZcD4xFDa+pxUGv7wf376+A7++yIouP18lXz90EoU/tzH1vsMpEz94h8s/UVLePwB2lj7lBIq/jJ+kvzwRdL43QD8/nk84v8vZcz+WwyRAVATCP5jAlb4ND/6/hI9Av4qrkL/pPcC/Tu3QvzHPwr/cJLe/O8IgwL75Ub82t3A/eSQwQDFbZj+IJmK/CwtJwPmGIr6cc58/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 81811c6bd9321a0af7c707487e56ecb0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "W27iww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YTWGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DkvjvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "O8Uavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XweOv9Uhd74RU7K/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AID1Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "FyANP4/wLb1atYM9osArv5n0kT5jeFM/mKrsv7SOXj4ZUp09lbEJP1osu77vt5i/R/Mov2H+0L5Wce2/SK3ov1CI+L03e5y/HYAlv3oXLr/6vznAqDkzwCTUCL7quta/UzjsP2Ag+jskmks/R9M9vzuTFz8q2f0//6zjP2xfkj5FWuw/e70+QC0/fL6hE5A+58E2QFUT+r7vkjW/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 923907876342f46d56c7b9319e6dbd1e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rfz0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rrqOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zGCMvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9kRXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/ivrPg/RqD0Ec6Q+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AID2Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "cvJGP+rFWT4clzE/ZS5ivXjSbr8y/0A/+L58P1nCFj92itk/shK6PR17mD8zhY69ou0EQIIoH74KmwG9JQSNv95BLD931wW/95L0P062Db9mL4e/JlGZv2smN79ckoM8h2tKQMDmxrzrbes+s7QIwD/9w79SYyK+aqX4v1+4oT84S5+/oMX6v5uTGsCMuaM+TMDRv1BuDUDaA72/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: adeddaf857f4f39354954a177f8bd9cb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "q//0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "z0tVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lUZMvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Kjoivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dxUiv6Tfuj9bX0S/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAD6Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "qU40PwSHaDwcWpk9moVSvvXPfr8FM+U+506BvX2Xez8od/i+EQ2+v2htJb9rNg0+oJevvwpVIz/qPPO+m7UHQGvwq73uRpY+xtQjwGZyo7/ryqY+m1KIPlDTCUC/2IG/OYEIv0suJkB0v6m/XpF2PRF6679Wjmw/iqRXwPEFRL/cySq8vGItQNpCST/1QWW9ju0oQAiWhr/KfFM/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b90d58ebaf32027e2217fb76b63594db
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EYDDww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7zh1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dxLRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tK8Mvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ttvmP0/pED83VAy+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AID6Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "TlQ9Pwy6wT7MJzc+NHQFvw88Dz49SUE/sPCLP66T0b1V5YG/4+7fP43WkD8l6GY/65utP+VRB0DR+ZY/90k4PtL+Qb8aPNS/bS28v8CtAb8AoLK9OFhlv7mW7T7UAPc/DgoDQNf9GT92Deg/QjeQv+HRcL/uEJ2/m2ojvo8Zaj+n5h1A6ADePoSClb9fDSjAuuwmQJZEnz8Sb3k+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2e0852e14d54d78e987fc65ee8de3367
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QPzXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UDZlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XcVivA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+glXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GjRUv9TUAj+qmqC9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAD7Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "c5+iP5rvlD2/8SQ+187pvBHPRD+NBvK9WrVbPyDnsr9kD4A+pAAAQP/JOT56eCW/0QkFvwtXuL9sPqw9h6TIP40zF8BqkM0+QnqCv0CHP74LU8i+Sif0v4Rqaz0hkh09QMtTviH7AUA0u3K9t33Jvz+DFEBZ7Za+8EvfP3HO1T5da4o/fshjvxy9D8DKuM6+QrHNvwZ2UUAXSie+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1a83bfaa0921c132d0a7004e0ee3ee98
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/IHgww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yeeFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "c59cvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tadUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pvImP+hNJT4d5nu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAD8Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "EhKkP7RsjT6V1de9osDWPvGXSj8PWWk/qJozvw9KirypnHc/KnaTvy7Mbr+RbaW80dMCv2VVVL9RsKS/zHAdP+pChL6BUJS/HOMoPzhj3D89+9A/TP7QPxjpOT+H7cC/nx+pvyCk7j3KeuA/DtIIwBjq1r8faoQ+kQEZwKRUDsDaZBC/YfylP58b2j8mYey/pa0oQOB+4D42oea/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1ffa86e29f570ba05f8b14347c4aa324
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pnfFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wrtdvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4zUvvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4e0xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QNk8P2wJeTsRHn2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AID+Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "cjwpP7osjD4MKGQ8+WUiv0TDDj5IkQM/c/c/P13cA7+0U4q/6UivPyGwVT+iqes+Wimfv1NeQL/3DrK+XGLIvolrk79to6q/7u/zP/zeL7+W4ea/Y3IgQMO79D2ElfG/rcXeP63Okr/M/SvAv6sQwB93jr/u+Jq+YvCHv4blWj/NYNc/loatvj2rzj/I4RNANykHwFeXKj99Jv4/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 64bce6443ecb0e4e1af4b1763f665047
username: gastegger
key_value_pairs: {}
data:
  {"energy": "htW+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9RSBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Me4GvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Xm5gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ylRhPhKIh74BGKc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAD/Qw==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "wgfDPvmkbz35CRW+wMQlvzzmQL+TC1W/q4qrPXsLIz/T45s/oACDPwQIB78l8Y4/exiXP5YBSz9VZoC/NOJcPxaZED/TRfK/QpWZv+4b5z7NKN4/izKqv3mXq78ynka+rQIrP/lPv7+mZbo/5sqPv7Rnlj7+uStAA+I3v1GpQr9fzgLATy8HP1Q5zz+AEbA/TpEFQMtvsb6i1Zs/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c81e58884018c4c90cfa049156f42d72
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1t32ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+rmJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7tGbvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/YpFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "exTOvq9f0L4oLBE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIABRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "lwwAP+rWvD6qAqM9sCpOv2Q73D1K5mA/xFayv31vqr6c2f++Ad4wvmn0BT5nY6G/OPIyPhj2tj8Ojkq//aXzP8ojrDwmPds+CkZ3PjfoUL7vHg3AeQIRwLktj78VmT2/896YvwtPhD9WDag/5w1Hv3V+cb8NUuY/1KT8P1+iPb/HZJ0/jKQ3QHywAT92JdS9Zb61vzjvzb9uhcI/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aa8a6defce0de79e055e8c01a4729db0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "alzHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4dGGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OdW6vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Jjkwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yeW/PXTSGz5uUWY9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMABRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "GJesP2LKgT4tHEg+owUkP2f+HL/T9Yo/IzFJv9OSfr9a1jU/Xks0P7HyfD/viz+/stgaP8z3Eb466ARAwas1v02uNj8sYoK/zF2nPw1D8D/iQbe/2jMSQDwg+T8xt5G/p8u0v2xEZb533bu+uTetvz+c77/cKqo/9YSRv2gSqT8DYee//oCdP3Kcw78zFpc/KswcwMIJ474W3Be/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 61cbd3851f77436bec2f61e26906dbcb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "A4Tgww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pZ51vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "IyyqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lIggvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Ga3Lv+bLAUASg6w/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIACRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "XT0wP49+PL5xExy+Q9YyPFAenb+niyC/rbBGPu2ZZz9PouY+nTMMQIX5Q77IhZK+ALYpQALtOD9SaxM+cwOpvxb9mL8H/fy+Zubxv8mfIL6BjKs94Uo1QJENib/naku/i8+QvxYNbz9hlRM/IQ3av+40AUAcSJM/VEs+wNhSOL5+Byg+fb2Mv1arLEDFyso/DiQrwCuyAECuhrQ/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5191f14a3879d1de5017c50658bfad52
username: gastegger
key_value_pairs: {}
data:
  {"energy": "werZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "W7OFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "y0s+vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "w9Nbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "rMWnuWWNGj7arAo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIADRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "WBGFP3ujBz69xpi9ba/Cvdi0PL92hRM/hQQZv/ftAj9C+JQ/VJmEv9/6r7+cmNy+K36aPollrD+OOQw/wBzcPg+PIkA+9fk+k52KP3LirT0Xzby/G8XKv6rRJb+Lfoi/Nd+XvzkZJMD5TQi/osh4Puxlvr8YvaU/Fn2rPw40dT9bxOW/GdWyv1/1Mj/BYeA/iCwBQOAKZL3lwMQ+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 436f66184a9edf5b8db384607abb4d19
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BOrAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "e2mKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RG2bPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TyCUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MlUIP/wAPL/T9q+9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMADRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "wmk3P3MeMr5ywtE7/nhwvpgwcT/YHwc9+MVHvzfFDj/i8Za/4BX/PeAWJb/dLKu/iIvIvr6uzb/1xKi/SQ1LP+3aG79UngzAMPIMP/jwjb+OipY/q2LZvximiD+lU+6/h+UBv3BPrr+wa6g/oxQFwPh58z/n7LS/MZKOP0kWAsAeQHw/04DeP87yWD4vWwy9d5iDP1ZiB7+ZGBVA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 23beefe34094b9804d9419f3a3bfbec3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3lrHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "83V5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yeOpvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DoQkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UFMrvyvBYr/7lum+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAERA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "YdB1P+y3Ar5wCMC82w62PIRHZD9WuRY/KxWzPswVrb8YezG/o3EKQPU4wbx0xEg9Qr2Fv39xqL+hTn+/0kGxv+SGJD/QtrY+eVjvPh638j9kdJ8/Uonnv5quxb6GWcy+kQa/P3CN7D9sraA/VwwHwP3QqT8UQEc/lN82wCV4Dr+4CB6/5hUHP4H+DMDqJbG8e85hPyuxxr+9HdC/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 53fcf9f19ed64fc6b7e8d45518dad613
username: gastegger
key_value_pairs: {}
data:
  {"energy": "y/bXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tr6Qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LT+QvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1l1Zvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RFGMv8NkCj4MsF8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAFRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "SmSnPsAywr02oRA+3V1rv07bsz2e6nA/t5X8v+j95D5EYsk9BXLpPggyIz0Mr5K/THXDP98V5L5hUjw/MBTiPxqja76RYrC/4BFMwNzOIT+nWks//OMYQGC6Br9RXjS+CW5gwLPpk77mAqc/tRKQv0PRWb+/7b0/j/tGwFittz8DXcU/XU06v+ZPWj+LTds/6jx8wLRJaD9GVWE9", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ddf6d93dfa6d4b6b83d72001141c758a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5nTFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KouCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "E4FqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "D3ZKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0hgBwP4OhT8sfQi+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAFRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "ti0QP9Rehr50aM49pK8HPSKkA79WyYu/Z1+QvxZdIz5Q14K/PGeiv/D9SD9B4zQ+COngv7V/Gj4Or+e/X0hPvqdBCD9b/mg/utbvP6w3R79wwww/VEodwOQezD9w4hA/YBUMwCzPD0Ddv7I/2z4IQOXo477d3ck/z44mQM7Tvb/H09W9MCBSwATrcz8C5WM/5yk0wKJWDUDl5Ye+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1b897a93c1ef479bc401b7635bfe27bd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "07u0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4gCCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GlLFvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gVdrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LezZPs5TZT+Ss7A9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAFRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "E3n0PvIQxz2yhae+aQY8vyr2hj/VfYe+P+Oau1YAjb9M7HG/KvW2v+EQ7bzENBg/E7J4vuyfcr9LIO4+sZbtP1L32z4oQ8S+OioCPuDn27+yopA/A4iWvyGgpT86452/uv9AQOInPz8WFtO+K8oMv7bJ+z+UTp0+S2SBQDoxgj8yyuK+3EAewMJ4Cb63YqU/z5hEwG1YMD9KSpg/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 133fd279e04fa3e7fa0c5b139373c21f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JOr2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uqGRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GysxvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rfh2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "F0jcP7eXgD80S8I+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAGRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "0v2oP329770fujk+UzWZPr++k79rMwY/WBkpPzu1QD8QOmC/qKkxv4KDEz7yk4q//aFdvz6kZr84Fju+9BdmPz4cpz8/YP4+gBhRvngDyz/K3qQ/k4rcP3DbAEBMVhE/aFLfPA8kuj8kug1AGizMPqwwBcB0RKI/5l3Dv6QT3D5HH/G/LxaUPymMlj+0c96/BTgXQIdUzr4F2Us+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f65145331690d954f891196c83b8a04a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tEzkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kgeCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hc3gvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YqgTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5gXYvpMYZL4SoG6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAIRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "l80oP+7cZjr4nQW+mQsgvzPt+D47lRo/imBMPpvahL+h8JK/4BLkv2HxJj+cDw6+oYAlv7C+OD9wf+M/5A7TP5yuDL8EBGU/GciZP1HOmL+j09Y/DtzRvy4m0z52SMC/sZ9Vv1R7Fr91qOu/o+gMwLrljD8KjQfARKKQP9xWXT87hxy/sAcLP8c0BMA6bYy/Oxw1QIw8q744blc/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ff40b5fbc0b3ee8879dc43c47da582a1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "E8u+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "flVuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2LYoPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mkGMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xJm/vvw1mT0Htgo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAIRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "MIJ/PkPC7DzMOJW+HaVGv2RMJr7B/ay/pWazvwqxtr90kqG/IFsyv2pjBcCxoJq/Ct01P68Xgz9lG0A/hAwbvg9nAUD0jZY/MgHHvxmNGT/43Z6/joXRPobN1r4fUIg/hHuFv4fT1D8PS6E/Xv6ivjMAI7wC1xXAKfDePwCcrz+qnD4/IGOeP/GCe79SyLI8q+ZAvgKaf7/iIeA/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d0b384b57b08cf55ad1e19e29f223d1a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/L0ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Q42Svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ol+7vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tWpHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8u+Tvn0/XT8sDn+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAJRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "hk0IP0C/bz2FrtW9hGtmv3o1AD/X5O++nb3yPnNlWL9TWGo/ObXDPzKu6D5cjiK/hsLVP6xzrr+ro7M/6Q0jQDkRdb9gA2M/2CfUP631CcDeXRJAylTxv9Y0Dz4R0Ow9zKRav6ZEqj9gD8G/z04IwL6/6T/nmPm/MZkxwOpxfz+RCBDA54wnwF6GGEBf35K/5wL1v9pyHkCd7jLA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 63b18b9ece0b8d492b847e14ece4e42a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IBTzww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1/pSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "36VUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "X9Edvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5IOev3S19b5dFhM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAJRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "IIZOP3WA8z1xsEW+geyUvoxGVD5vWZG/oX6oPuShSb4gSpQ/IhgAQAPKiT77JuS+ArTFv25OITwc+k6/pzbmv0Fokr4juug+AzJvv87Lzr7V2ro/mYekP9gSfL6d+wdAlMAOQNWWj77xwuI/bv0wwN4G4r6WoC8/n9KJP3c+Nr/fcT9AAkHtOqyfAD/NkBrAgTNUv/lXBD/oKDrA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c08212cab32163bd8c99a951cc5e5820
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+Ibgww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wANDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jbPpOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XFFKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "miWBvXh6kT+etbu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAJRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "ifL0Ph4iRTuLuTY90N41v1Qgwz5+hwi/bQ85PswrX79KoI4/RUrjv6rnBL4tpDY8TlvMvjrLnD/ibci/0Fh/P/0RrD/JF8+/acPFP920GT+XUiG/qb+YvwXBZ7+rmIM/2lqHv9cu0T98/gzAt3YkQAhC4j41V7G+331xPw1ttr9XfPA/VaC8P0g0+z+7/RbAb57kvxtLtr83WNM/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 289a1a076682fe23cf7a78c772665c30
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6woIxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qrqPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SIy+vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MC9Avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AB1Gv3MuDb9N2zc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAKRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "YurkPrM00r6uzhe+TvYsv8/CF7/e1Sk/G7O5v6ZT3D6suk0/txFcv8vP4r86tJs/jw/IPgn7cT/TPhu/Cl/Wv+Kk27+BgN4/VylivwUhvD9KbUM91/+8P5Udp78PIP6+GtYMQFL1TL86xZO/pW6YPySFuz8a9am/HNjFP9BsHMDT6gG+sMKkv60oKkD2nfK9cusJwJehM0CtV84+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ee782998008e2a1369fc01be276dbd14
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FfLNww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "K4Rlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4bOVvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Oqoavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fbMdQJy/mb7uQuM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAKRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "JFhUP1iGB766nPy9ayPnvvBk8j3k7O8+3B9bP1bFl77ZNMK/XU7bP3XaCb4qTHQ/z19wPwNwzj2maAJAWMS5vgokR76EBgnAkxjiPzzn+r4wsgTAQNgxQLm0jb50M4Q/C0rHvw/AQz09VcG/byW8vqFehT6bZ+c/m9DOv/mQUT5Gz2K+HivpvpDmm75fzU3AqEyhP0coJz4+fD9A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 626e15c2b2f8188af19357997e0d92a7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pIzDww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IClivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "d4apvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UfhMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8tIvwH4Yub/rrSG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAALRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "E9qXP/MS7z5fJxo997HmPm4qsT8Cu0G/lUoKPxtRLL+/YBA/uDhIv2r0kT8263O/CgMbQEuFNj/aJXU+20MzQJ3bCL056VI/DAE2v3Z3V7+X26c+9/24v+cw1zyDc+y+Nv+yvz9N6D+cs8W/flG1v4kP8b/tP2M/Cb5PvxP7I8B186k/YdUcwHDR0bwy1v2+oSQJwLgSE8CajKQ+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cc2f24443728f5d9515ae0e1c7aeb5f5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xerZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "K0+Ivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QfJOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xuFcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EQE3vyqpS7+oNd2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEALRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "6gaUPt45jb1nYSG94UAzv0hLVT9wuQC/Ra3Mv0C/7z5WnUe/QWLpvksCC0BnTDO/H4cWP5mXLkDu9Oe+UZ0Kvm+5mr/9Y2s/Hferv6JDLEAarI2/7Q/uPiwTDMAlJ7y9VE4+v/xSo79xjfg/rxSSPynFBj8w6Zs+1H8vPx9Hi797qH+/N6devg6FPMCGJv2+Tk+yP3jyKsBZtXM+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bd8b04df5cd5cdaa2248160fbed7c9ab
username: gastegger
key_value_pairs: {}
data:
  {"energy": "39a+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IquLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tvN9Ow==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CaeNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "r3wuPxfUFz/TpGw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAMRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "t3/3PiUaxb0fkis9ksnPvl/ZTr9du2I/u7+rv0JtyL9eTZE+3J4dP9zaB78zz3C/vsm+v2rp2r9fwGW/E1P5v1f3AsA6iog/tVYBP3T+sT9+tx8+K2PSPxxZED+iyzk/bd3aP7Ny9T5h8+Y/h+06vowe6T+/IWI/KbEsP59pBkDe64O/P6GdP0FcN0ATjFm/nKolQLYmED9gEEc+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e98907dc9635164c2aeb1410932f74b8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Z+jZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "INSNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QiNYvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cJ9lvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8Uttv+xR2D68ltC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAMRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "BuQmPwr7kT4TufM9b8ZJv4D1Gb6bXYS+Xceov5lBPj8SYSK/YIykPz35Gr8doyI+gqu+vzJCRr/5dEo/X+7Vv3iEBL4l/L0/XXseP7btaT/gC7o/pNcCP8e2uT+uNx5A5V6cP+UHkT9DoFm/vBRHv84Dl7+RGLK/FSNZPv1Tx79nhvq/LmdKP6dV/z8lwU6/+83kv3Kvyb8oF9C/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f757185248b1a802fb3d95d9d24f05e0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4YzDww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NbV8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SG4NvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "o1lZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ob6FP3wn9j4wZHU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAMRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "8UabP7uI3j5vmwk+V6XBPlfieT/Z8Y0/cTZzv4GpKj+IT5Y/+gnKvxO6/b1728Q+cB9bv9Q0PL+VRiS/z2wFP7iI0L4klze/LgdQP9nQzT92reE/cLGHP5CKV7+fp7m/xpccQAOtQD/2mQM+tSk9QB7omD6EYSC/2Na+v32vkz8g1v0/LZe4vz9WxL9wr7i/yixMv18m9L8J9wjA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f8607be0d5c25c57a61b212f5b9e9c75
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NHXFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MEhKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/nxbvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8GgTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Xkvcv8B4jr9fXoA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAMRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "B6E8P621fD1UvtY9fKwAvwazAD/GVbO+x520v4Mj6743ctq8Q4oxv9Zi4T+KooO/L6hYPqC7IkC8VaG/qCIlP3ETlr89Bjg/W+jev4ni+z95/am/DvnLPz3OEz+neTu50JY7vw3Ru7+YSR0/woKRv9MhFMBQ/Xg/q33OP4PN6b/VvJ0/ATWnP9p6LcAadNA/SkEewPYf/L5jU1O+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b4aab2d00f2d7b96ae5e2f557891026e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+NW+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "l4t4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EtkHvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UpVWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4/wFP/a0az/JsDo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIANRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "aLeGP2f1rj4IeAc9rg1zvnYwir7Nxiw/hFJrvzALNL165i+/YW0+PhMvbz8BT4+/yf3KvZsd/T8nF3G/2MoMP52+Vj+RIgnAHK7tv8yzCr+Bep6/Sf8mv4sa9D6WWrA/5niEvik8yL8cBJg/EXjYP4kN7r7wdKu+JzbvP/Utlz9B7U0/+RmtPxDP+D+MEos/oY7LPTz3xr/hLwVA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1ec84629d3a9ed11c79eaf89866575c2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IBD3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nIpUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DM01vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WRcnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WtgTPqUs078h5Qc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAORA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAACQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "aazGP1eDHL6zTX29TrdaP0nKib+dSzY/NDCuvhoHvL+LV7M9SP2ov0nBMr9EgCa+Ul+fv0bOKz+cAAK7SDOivnzSMsBIGWS+AHb+vbYDtj/xyZC904SZPsYVWMCXLaQ+VfqSP47AgD9LS7q+hj9rvkBPMEBKSv47gHgMwMsGmD9Vj6498u+Yv+2ZTMB/DgK/tLghQBu/A7/5kcC+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2fe360a0050cccbe96f9870e53d1ea9c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RQ7zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "M1KHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3nSrvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9+k4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EjHVvuXtiL7xLre+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAORA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "25vhPo6IhT7EWYa+ucsZvwfvZT/Srt0+WzXdvw9XJj5HXf4+MDjyPWToZr/H9YS/XLrHv6tdtr8X+/Y+n3w1vwH+6r8N8Xm+h3f3vk2kKr9gW/a/RajovjKhA0CGu2w/QESFPwXDsr+DpKq/9oejv1ekFEDIBLs/VVrjP7/TIj+Uv9a9TH7wP3suvj/i3BQ/N7IrQH0IoT2i3Cy/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ca5725edf1f6f6fdeb0d3d0305be13b8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HeT2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1laMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ijmIvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "55BUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xLEmPwn+k78B3ho/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAORA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "ffecP33yoL4Oy34+75GMPQ131T3fN5k/yV5cv8YUUL8ZVLc+BtCtPiHssr9zT9O+4bGlPj4Kxb/rjeW/4mqSP2U0ej+nedu+mXcPQACrC785tA4/eMACwGqFdb+ad5A+vFIVP1iPFsB07Lc95XFEPiGPuD/AceU+XxGWvlJfIUCP2wE/RIwVPcnPzT0CGBJAxjwUvx0+tb8K5wbA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 619fcee92e246b53502ecbbc6dd1d018
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XuzZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6xuIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sRg1vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qvFivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ILWZPpijb78c0zM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAPRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "B0g2P6w6DD6h3Ue9XGyWvqKMnL5v0pW/62hUvhPMKr8LiWo/37+Av2Wmhb/OoIS+y75JP5ON0D/PHw0+mNv2v7uxub+Id6u+3DoQPkZpD0DSnHM/h1G9P4hvCUDTHw+/yTjavrA7m72TshXA3s3aP2xqlL4XA0G+/1Y8vwOHDL1qqNA/0lyrPiGS3L+r0tE/YY5EP/UFFcAQJ4M/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: af84f39413fad53270b3ad6c3171be86
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7ODZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4V6Bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "K/yZvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PX5vvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PIMmP7k2FD7tmWW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAQRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "Iw4LP7E54TrARYM+fgvPvlp7kD98/9a9nnhBvEBVnr9CBKi+hZSSvxInRr/RfJG/aqTSP11+TT10e2M/tkyjv6v3GT/nVI+/N8T3P2zErj+aXKM/QwSzv8bKt79VOLI9laoyQIE3oz8pr9o/qP3Dv+xTnb9FqwLAbOYWP37aB8D0NPy+4L97v8IquT+62kQ/Pk/6PeLB/z/HnAG/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dc7099b8362826f9f0a0a7aa20ffb1e9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tGrFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hPCAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2/2KvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GmI8vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wOzevTUpxb1J1wS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAARRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "TTMoP+5UJz2fF44835jXvgfUQ752w3W/+pVTPmwBeT4Q2ao/YbPWv9Z1YL59PzS/GLNQvqHeuL4glADAdrP0P/kdmj0+lU++0GgCwFa13rt+HyM/ppAeQPff872+78G/O++Fv+idUj7rgMQ/blvjPxy5mr6cvxXAyfS8v9BEtD5ihyFAtkBLQLlVdr+1Yby/yd5EQFw3Qz8ojeK/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2b4c70691507226eadf5915196449e88
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xEesww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "syeBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aqVQvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DCZOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GOzmPmMLub8EBDO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIARRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "N825vm+hG73cxAO/1ZsAv+//GD+VZrK/LKnCv0bSIj7R69o+gmvdPct5vr9bh1W/Y8OHP9yZTT7tN789XLmtviExDsDtrSK+VXNbvegn6L89Me6/G5LJP0Bikb+jbuS+BmwPQHMsfr+jtqa/nuHCPz6/iD9L90Q/OwrPvzqWIr9AD5o/ew4SwLieiz/k+cc+nUwFQOXj4r+Ia5A+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fd9e5ab34a9138af3110ef7d6634c736
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SP8IxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RtCQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NjtSvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vhFtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4swnPx0Dcr4Pf52/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAASRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "fDaTP/xAsL1VP/y8kUXQPeZlkT4m2ou/ygeIvxL/Yj8Lh5W+ujU0v5Ltdj9d/4Q/VnkTP6bj7j5/b6M/aBaJP9JYAT/spxZAD6qTvg+zeb+0ptW/ZBO6PsE29b8vKG+/omvQPgwJdj++8/G/d+eVP7eVx78esLi8rY0MPrMVPMAO8Jq/ZcQHwDbpnz8KPjG/BAMKQLKpnz5NtzO+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d30850eeae180fac37430b83bb40d255
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hPDZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8+eLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3ZgevA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LPOGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FCIIv6Q2kb5kHtE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEATRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "MjW4PreyB782W8E+xBhdv5Wkjr+u1ZA/7iyKv4G+ej75v9U/+ROZvXoEVD/5KnU/TEnFPkTUE7+xGZK/ay/sv+bRJj/w/AtAP/2pPyX5XL99dEI/Gr8oOyvHwb9j1eS/qQNoPzXXBj8qjdq/AFGXPjl4+z8p6kQ/VG6AP9HgnT+OWoW/dC3Uv4fJu7/77PA+0TEkv/eZ7r+lSvI/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 30fcc88417840c85cebdfd0229f8c67d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BHLFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QbZ8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "H/fNvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sroVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qYfIv3wshb+9UjY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIATRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "7iEsP/BLvj6iB4K9wvosv9nygD883Uu+0TfnPmvqjL+Y21s+r0vmP6WXcT+nsCS+7cjLvyxAhLy7tEi8gvOGvzaNq7/MP3g+teqoP2Gg9b8m/8I+BmNdvw+fD0BnEOC+PQSqv8rXBMCoXwa/NCkiQGpicz52Spe8fjwlwCToIT5RZHW9Pyzuv7wIHkDfafu+dp+sv5ro37/50ps/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 82c3e34095b7f65755e19f978d8db32a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "v/G8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "clKIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0NIVvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MDBrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eR6QPxZqbT71vvE9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMATRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "N4GiPuwCwr1k7pM9WkBMvyn8Zr+NH0M+XaJav0MFt7+jW5M/ZI7Pv3rWfr8kCDO/vkT1Pph3HD/HL5q/+KD4PjKvFb4tl/+/ZUwBv8uZyT9aEra/ogOqvz5wiz/Zssi/i+m4PwZijz+Rgpe/J+OaP4lWyj2NRJA/wD8AQMviTT90gFw/RmWLP1L3+r7tog9APFbrP0qhXr4VAzhA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1440fe0f56f14b48c90791f34052d942
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JlHHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "c4OBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "z6NivA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qdx0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "L26fv7EWN79LAhw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAURA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "dHyeP7EZOT2ExiM+YtGEPv7RUb/zDPK+XioGPwrHSLyZXcM/N3EMQJj+Fz+H5JS+o1wOvzhKWL99iUw/ICnavxxaHL5NiOM87DKIPypyBr+IvBRAl3JKv0FI679POJc/C0dcv+cwF74EBZa/8aGYvwuWiT82YgK/0pxcPjOmej9+bO4/q5QxwCb8er62NiQ+nyOEv0BkWb5LOw/A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 428667d4cda088aeda62d79a15b840ac
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cGzFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "T8lpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Vki5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JCUNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EhSfPi0mhr5CPsw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAURA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "v+WOP4Wkgj7Lw5A9q+WJPn2TR75AvJo/LR+sPqI1qj6X6py/TJ3GPyf2nT/ly5s+7vaEvy6h57720II/evL7P7kL2b6vDUC96AHXvzpqob6wTl6+XQSJv8tIOT0ja6G/4YXYv1VUR7/ogek/Ge1uP0iZmb6I0hdAGxltP0knKD+aexPAKkyqPgdmF78TfERApcptPmNXKD9NvkPA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 999ceea3e3aac86a718acd965c75c613
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Nwf1ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/TOLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "by2TvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QtFMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iqs6P33oIj9JnZS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAVRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "nRO4PzbJQD8tW+y9wLVFPzR3OD63B3Q/bOk7P33oMz/E5Lq/v50Ov0GnPj05cbq/vVOav5fnBL9llcy+lCvwvo6Y574fSXQ/oS+gP5iSYD4adew/kH0hQHl/oj9fwhk8/ZESwG85hr+Wn/a+rcCHv1tgJbwTMhXARS8lPybr3j9nVea/J2q2P8gYUz7krAnAevlvv0M6a79PuPo/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c8ac3aa0a510cf8769eae8fdd0fd8e1c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fv70ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XHSSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pduyvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5npLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jNvYPsAhpD5lcJS8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAVRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "kY0uvGd8rr5F924+LK0+v50SkT6TQK0/VekCv5YHkj4Oeo6/NL72vmfRsr7+JwjA7t9kv/x4yD8RSIm/HoCCv4GA7z+T2yS+JqX8vcCm4r/brVc+ddG8P/jkEz4hIMg+fe/NP0jQnj+vQO0+RtGivjHqA8ChWD6/jZKjvx8iXj+BtgxAkmAYQCWEIr8Ou+A+arFEP6NRC8Dr+vY+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bf5b741083477c30231a479815e8d6a3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "D1/Fww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Xpx4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "a7fdvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ceVcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "H9c2P+PfJz6yhRA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAWRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "TZtdP5Y3Zj42y0+/+d4Ivmiiwz6DZps+w6e9v0xIWj6bGMI9tc3Vv6H6jr/93rK+XxMKv4Y83b+JSp++hJQXP8bOZr9QNh0+0Oa0P52Co7+yf0A/8NQbPwZDxj9xOGE/cqDhP/6bjj8UPb48rn4CQG+e7T8GMh2/0osxPvo0IEDE5hE/qLQCv0i3McBd/BO/g/BMP1kvxz+yRPo/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a4d387fa680ea248423051e90c4c7e72
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PZT7ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "x2V8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mzjZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eskPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VRjXP+yjW79ui74/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAWRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "BWoaPu/b+z18AYs8hctqv3gDQL9Xcyc9fHv/v2Gs1r7CMmS/gPB5v8wi3L8MA0Q/ieVPPuD5mT++vGK/Z7inP236nj0v+kQ/hGI6wLkCib4iGMq/CeOpP7Hi4j/ObTC/HsYCQDxTkj+WVpc+NBVBQPZkvj/M7Bk/s2HBP8rvVL/kuuA/71tlPwvO0L+2SeQ/mbwcQBWDc788PAZA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a08ecf9b316bb4a4e21568e8cb26cf99
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YFLHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/RVyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BkbevA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PE1Wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "j/yVv8XJXT62+BS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAWRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "QrOEPyMFz7vmGsY9LNwSvc6SX7/yBU0//b18PjIPmz/YYmc+cNFzv1WFyD4vEjo/84vPvyujNj8xRBa/IYMEQGIPSb7dYu6+COHVvh6jBcAsPnU+1Li0v7jnOj8M6tM/MxgJv7lf+7+ccjW/kZp+Pi6diL8qc+s/cM8Jvw83sj+zRX6/fqlHvgkp9D/ZtPC/CxknwHPYCj+E2nu/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ae74e9eeedde609aaa0575945a02ed60
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HRfzww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+aJdvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BWpxvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eEghvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FYxKvQrcqj4OFbO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAXRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "dDCLP5GdNL7k4j89U4DzPeeTMr8dnYM/azcCP2PHET+b53O/W4uUv5UVAL8yzHI/VL3Uvx5cjz6TI5W9tZERQFQUur7ESEY9H+1Xv9yVQD8J+3G/Pd8rP22Esr+QbwRA7K7MPz3/4L+JTvU/SKwbPehf+7+C7yZAwtSgv0kdvD95FQLABxwVv1i7BkDeihvAf9kMwH936D+wn/u/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a278ed637f4aaaf7ead34f4f74410c60
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pdayww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FsNFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "q+iPvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AcYzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9noXPj0Kf78YfeW+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAXRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "1+fXPiICVb01Ojc+DgybvrdDob8XZNk8ha7Hv2hZq7/Kcvq+aKHXvdwtlT/INUw9LpQNwKbOk757TU+/5yDnPwa1L762dec+96U+QB/Sn75ETDE/Wsz0v2DIF8AmjxO/T8RVPs6pBsDLXVs+LXaAQBb21L57Z2g/MOzbvpG7FUDM+P496U9IwIklBb8U6Za/F//pvjiHN0D85T+/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 613e384dd65d71cf458f84bdab96890d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "D+/Zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "a0dRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "L1ASPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "d9t1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mYGKvb6kMT7gEAJA", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAYRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "gNwZP8GqmD1/2T898N2nvk1GUT0y3Ik/6TLFv7VUD76nXQk/+pSAvQVR2b27+ZO/2wSyv7nKdL6t3li/yA0iwJYpZ74WwXA/pRACQCqAhT7GOyQ+tP0QQMYUnT9xWh0/IOgbQO6qZj6OA1q/beIeQFcsCL+YbkM/UibMPlx0E77cKBHA8R0KPvjEWT6GPxVAyi0av/HUQj6V3TxA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 44136758cd4ce238bdb6b4a08a6e1ddd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ysC0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QWdyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GciTvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NIMovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kpYyv9xLar/n+0k/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAYRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "vQEVP8ARM72emXI+bI4Yv7UPFT/rGem+zbnuv+/6gT3P3v09tbCzv7RCBb9/X4+/RlgJvye6wj/6/3y/6igMPkjHn7+g8CI/LvbyP/p0DD/9LdI+LZEoQDbzz72YQG4/HrsMQOS31D8YBOY8WO6jv1oUqL8Z4DQ+FLjzv2d/DMDoT30+h682wLPT7j4PXpw+o+4qPxiaAcA4j5U/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2711f72b07557fdd326e9031eee9fe6c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4+vZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5+OSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VMXUvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kpeFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UMIEvxQi4D3XUcU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAYRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "pmz/PhIxyz2/6Sk+ftxnvw2QCb+mAqQ+XBKFP0HX+L1GMI0/p4PjPsF6uz93vMq9u8mdP59BEL/HDWy/+sbnP0nmi78ug+K/lRj4v4eihj3eUHQ+yF4UPo8TEUDXy4Q/yB1Lvxp67L/Fqhg/Bxldv7GCBECfELU/iu5gP+11BkAiX+s/ocJWPk5XU0CvJDQ/2kTYv+FJDcA6Ii4/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7c473c70d05eef32b39a2044185e4e18
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VlTHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rKhxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "g2gtuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CvNuvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HELVvTqSi71txb69", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAZRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "G7CaP1quAz/yYtA9QmBSPs9YED+wJ5Y/7/PNvm1jL79idJs/mbZCvhq8l78mxfi9QSxYPo7Tij9QrgdAt1WTP9yqQ78mWOK+lKqQv8+H7r6tlYS/mQd7vz5uXD8YRXa/myrrv0KNer+nMta/CTJ1vjljEcDmHO29+CfDu+iOsD//sJa9VhjGv52kyz823MO/6YYLQAlBez/UBMY8", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2c4e8bd500d6eac706f8f24497c1cbe6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/gG/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+OGIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "K/lYPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wamPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "h/4hv+HRPr/WqC8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAaRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAACQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "wx08P2zQ6b1apRu+VF0fv5CnQb+cD3g+n4Nuv7eAvr+ZRAW/u8XLv1fZhj6OzQo/vQziv6xSVj91T46+6ywPPyL1Ij+ymbO/f9XIvqSrvL8eG7M/GeewPqAynD+/KRjAekwewI56Ib6nB1E/5HC2P5abcL8nYba+q/moP/PBOj8OpmE/zvMgP06ZtT/2Y5U/bPe9P62fFT7/Rtk/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5915a7ba385bad2aac4826c8d2f176f7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9XPFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0EN9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SKbDvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "B89kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oMPEP/KYAb1Rg4m/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAaRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "FfbXPhM1Nj7qgK09iAP+vv8YsT7FAKA/pCLjvyvj8L5v14w/wmVAv82Esj/ZtLM/E/Y+P+HDlj8fDTm/WFGWOxdc2by42glAhmF5P1Sag79BroC+9QnXP6DtPb808am/z0LHP4AbET8aas+/otsRQFSytr9WSPS/HDj8P8+XjD+llRfAoOzPv9ksvb+zKig/+BA3wHJ5qb3g2Lg/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3b7c47ca5e08a9cb6ee76c093860822d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5wP1ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hhuIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mFABvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5uJvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xtzVv8rDnj/0GkO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAaRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "+ikjP5dYPb2/7rS+Bur6vjtkgj54DLc+AGPIPjTboz1VFd6/IwLNv7AbGj9T5By/BDVnv2Tc9D4PZu+/EdecP7w+DL73yiPA0wOov/iDFT8gDDLAaYkUv9KbgT7Bws0/WEP9v41fzj9VLdm+/8YbwCU20b1t4QG/bPrePg0P871Zwx9AVW5rP4YUQz9ZhD1AoDUwP5omoL/92zNA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 90f495c1d7eb96846d275c6b0ffd1e3e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MB6iww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3Etqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cO+avQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JNQcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "J4giPwGHoL7zjoO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAbRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "xY+hP7YuSb5Nm4Y9/tX/PDuZlr9/J5a+d5XdPtNdST1RSKg/ePIhv53Zb79HMoc/vyY3P89HRD8/d4C/E2ASQP68Dr9YM4c94DrnvmSX8L0rVaa/XTslvwLmiz+VQOu+kqU2PvPPCcB6tUC/lN08vx+gIj9+Lno/mzukv0iX7D/tGWa/rpmgP8P+pD+rf+S/fCuev3fJyr+qsdY/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dbbb144f9f944650739ede674b0c548d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "633gww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "oDY6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dTmlvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cY8lvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VRNMv2cser9HVVM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAbRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "pHTdPnECuTu8H5495uBLvz8EAT92yqu+QFDfv67/2r6+zxG+AGcbv3jV4T9cdUm/BzGkPqxsp79vtA8/UKmrP4JXfz+i/Ri+B0KFvzpwxL/ktdo+ElZNPx+kA0D6nCe/xWQzwEIx4b6cr6K+kSuoP5rr/r/XYXw/+mK6v8RdG8DAPR8/AdyDP3CyOsBa1qU/5D8ZQC+qaT/Ylog9", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9cd0d130019186f5c93b6e8d0458c39e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AO/Zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qUuGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YcVpvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+iVSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zqWoPoCCC7+FX+o+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAbRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "/Yq6PhnEnz5SrrC93OWcP31bZD+UaJE+ZGkNv0nI5z2lppE/0MWlv+Ffgj+bBr0/0oTgvmQ8iL8tt+Q/k+kKPjij5r/oUbM/X+6WvoR+nj/JVo+/PVqFv18lnb8o6yRAzS17P+5AZb/JkEe/iWeoP+6zLr+OzOe/JpiPP+PB/r9F9pG+/A6av1vO3z/BxkG/jpwfPvGAsj8lfA7A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 24dee5d071055669510630357be56970
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4OfZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HvyMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tcZgvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "j8Zhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iquKvtIAXr7aA82/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAcRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "FCRkP8SBNj4dLCI+WDVAvvVX9D3e7Dm/2LrDv3jlAD/y+De+6ZscPvsK3T6x8AjAKoxPP6ptEb9f6qY/5Vm5vcSBmb+f4aw/akpqvmNObr+1/eC/ayzcv3soVz+9vXU/6bbVP9ENB78FIQhAmqgVwJT84z6xkG+/mL8YP1lXwr/mmdS/RIWZPx63KT/S9BPAt5sOv9/1cz9PjDHA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cb35418209073cbf3849385c7ae2e935
username: gastegger
key_value_pairs: {}
data:
  {"energy": "D92yww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XHaYvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2egcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QdmEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xymKP+J1hT+yS5Q9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAdRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "6ta2Pi89Eb1X/HW9aco4v+fBw74u6YC/R1ZdPqD+Zr/De5I/igZIPgKpyL9yvwVATvXHv6K4Jr8oLeC/wl2BPoJltT92c8g+Y3qFP/QG2j/JUYo/l2/SPwLycb6yHD2/bjsvv/CwEUCN3aA8nX3kP79VnL8P3HG/4mkZQINEYz3Kyvq9Tiu+v8UlAEChUyi/2dMsv3rsUkDoOMY+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f5b94870320d8470ac0519325e700e6e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uf70ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VKqMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Pl5IvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GD1nvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "odbov+krSD14nOI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAdRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "hBb4PiXbPD7fdnM9jnU1vso+gz+PG3A/6w23v1D5Wj/3sYc/gH4DviumU78DBTS/TXK6v+7Qeb+veAy/Ox8PwAtSLb4PTa0+Jgr5v25cwj/IDeA/aNQuwDlhV7+LcoY/BFn1PsJExL8i4bq/Av7wPxeWxT6HSHu9JwoUQIFHpr4+I0e/p5tBwDF4nj7eiIK+Bu8eQNeynD8BUww/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 84cac71261bca37af616ed0b826fef98
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PQoIxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UBeZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ucHQvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xM1Jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aD9CP+Oq8r0WGBK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAdRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "DM2tP6wddb1P+IC+sHEtP/Door+NZVm+rRpQv/hbmL+OvYA9dqiWP0lIG8Co1cO+PrELQJv/GMCSyQ+/v0VXP9EZmz8lu5C9Hw6svyNNhD3k5oA+Pzolv8zJoD+85lY+juPDv/fCCMAFYvs9c54WQEFHo7274+C+kxzEPzeODEAWbgi+NSScv2DsFkDw6Ms+/u4NwEtcDkC2FxM/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c7d59461d26533f3f1c4db6579b2ebd2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jufZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kpKGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "G0tYvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XRJXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "L24jvheCVD+thoS9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAeRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "qfU4Pio5GL31cCg+YOKAvy3cRj8CSti+U7Ntvqmlpz/ldSI/lWVuvjdpmL8seIA/aamJv2q9ib9IRu8/cNG4P7I2BL59vhy/ks7rP8uLWD9Swna/dJP9v/QwrT5hoWC+7yt0v/znsT82mdK/UCYzvxrHmD+ud8Q/tvOKPglrCcD2qUg/DmWrvjs3CEBX88m/agcAQO81lr/pGFq/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ee7d49ab721432b987dc715235658737
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mnnFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lwCMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jgVFvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yr9mvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RdjwPbq9HD87xwA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAfRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "PnV9P6llB7+nMji+7adKPszyob98zXW/2sQeP5yqAz/RYBA/WQAuv66+Uj+y9/w+S2fJv+BHJT5sIoG+fd2Tv2EZ/z9SqaY/uJwRQJi8Yb/VExm+/a+IvxxeXL/xKnK/H8rhvwEytr/bP8i/Lu4tQGU7h77nHOY+PdlUvy7i8T+0zxVAduM0v9iFOkCf6Wo/QV0PwEuuBEDlV6A/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c4960b10a3f4422f4524dfd7a0e0b042
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wOnZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "D4GDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vlCAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "v9lGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wvp3v8kCjj/TpCTA", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAfRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "JYPsPtECmTzLBMW9Cx10PgPwiz+27ge+cPNxPcVOML8w2ZO/DKgvv+YkSrwUbgnAQriKP8kUD7+IQlk/FTcDwBqB6T4IkdW/XLW9P3molj5POPI/B6ETvt66Wz9jHiPAVvWUP1rerT/C8+M/znEHQPqwk71iBDZAz7kYwM9h7z7d0wO/G2JQv+6HN7/pVj7Amq8twNrxTz8CHR/A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 17607a5b03785e4b458734486fb8db86
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FfS8ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "R1SIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pn8JvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pEhuvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DhCQv9SaNj91kzA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAgRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "iDOmPrNTXb6aHW4+ycDqvqt8ij7zwJs/mxc2vZR3BL1WZCNAnFALvJmKjr/LKy1AP/JyP58Hwj481y9AUpI3vnZcEz7q25S/HBGov2T8YT/Gr5i/kI/dPuB3bb7cSgnAHh7iv4UBlD+EWq2+LO2uPxIbZr+Ea+Q+RbXiP0wgkr8hwOu+iDPZv1Rokz83VwXAZj1Jv2Py2T4EOk1A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 10f0cef662a46312bf7a4114d98309cf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dlLkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9Up5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jlx3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0nM7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NJ29Piv2Vz8vaZg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAgRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "FEckP6VwDr7G0CA9jQIWv0Cvab7jEUq/lzfcvz2LgT681iS+FRvAvy2tmT/06Fg/1cgcv8/POj8dnO0/uYgtvyc7QL86VO6/RX6Ivw1+B0BSytg+sJcEP7ZfbT7XWKs/bcvvP25YGb+PPvm+giwdwMX/sj8tLao/OIWoP2MhCT7LJgRAXj87QEXDeL9Nl2+/grl2QMzypr+CT6q/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b1d9d8ce199fae6e01ad9ea26f0cbe6d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+Of2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "y9qGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aVSAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YotNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xeZjvTPh1z3a/pU8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAgRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "49+bPyb7Cz5LJRs9dPvTPXIfBb4tIIk/UYuNvy8P8z6f2Dg/1K9QP2nbTT86nZe/ggLhv+rwfL5lKCg/YmQWQF/WcL63z40+6Aj4Pk1JgD4U9QFAmnWYvSwf0b/zFpo/K4uUvwK2CMBQ+YQ/ErHRvuJInj/1+72/r3fJP3JNej/mK/i/nKWyvybv1D8sTvS/X81VP/OMDcBNKbg/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c9e2ad738cd83fbf441c7b54cd8fae49
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KXbwww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VtWLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "D9OevQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JEFIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IbByPSNKuz3kg44+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAhRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "OtaHPhFzZD4ccGk9AzGQv4lXWj8BYF8+1R+7PRIkmr9s3vO+S4PUvx2pwD5674U/2CKKP579dT+8uU2/j++hPz2wxT7kQsi/IN+Bv+Er9j84WNU+PAXsv+l6Lz95RHK/Up5uP93M9z1kKrg/45bBPrL5nr4qpBpAG6/9P8nG9T5gg7c/g7kEv0Uh8b8VThU+I2obPx0Vxb99bMG/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dc730b0bd5745509eae7d2c42c16b9b8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uXmoww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "E0Q9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "T85QPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "p3dxvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Dws1Poo8eT9jtI49", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAiRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "wuSFPz92ej6CicA+pL6GvSVrVz9Cwl6+9A4yP8ipiL/ZZwY/a/0Wvxqzpb/r+3897EcKQEVxhD83mjg/87yAv3wLCL50msS+D5I4QF4dgz9c3wo8hxMlQMaZOT8XbMs/M8gNwM9p3D1f4YS/O1owwEbjWz8jsh+/HSMxwHW6Pb/NxIS/WOykPz5s7r/TzHM/EfgAvjBx5z+6Lvu+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e77921949317e31ebc9a2eba5c548e2c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/AHcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ELN3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Awe0Ow==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SFN9vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "58a4P2wJOb7LLU2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAjRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAkAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "EwEHPn7uMD7D1c+9yciHvz2Xm77eMWC/ey2Av6lWjr3ZJvm/ZrkNwIuyYz6O37u+1QQAwChEGz9vFv8+tkmHv9Gg2b9uuE+/IUOgPeb3iz9kuVU/HvutPwOhmD8eHKo/yLWxP1fjpr5Eone+m6nSP3qajL96gVW/1gUMQMZ1oj5Cgy0/exDOPyxX8T/VdwdA1jxPQCiQyj1jUEY/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 13a8d1cfae08546b719fb9c8d8ce74a9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UY8VxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9byLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ep8rvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sLXXvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GQSCP4wQPj/xEXE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAjRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "gUhZP2HLm72w1ty94MVNPQBzgL/ENSk/HueyPvg3lz8kP8W+iDoBQI0Mzr5n7uy+GP8kQFky1r8EFHC+Jr1QQKkS1r9ImiI/lQ1xv+upyj+xJOy96F0bQEsVJ8AwyHe/EmyRv8xHRL8tb3U/8kLlvxmU7T5ewv4+xWE+wJs4Dz8wkiA/rn+uvybTK0Dw9rO+Jud2P/bQ6z8/Xlm/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3fd4fbde83993c34f8dd494a7cdba0d6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zNW+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ROB4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "W0AovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LdBOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YwtBvZKzsLzmIiY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAkRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "9h4/P0Q83r0F3+u9+qERv2PtOT5JtFa/1ummPFSpX77fcqA/nO+Nv/fbGT9W+RQ/WDDoviWNwr+6wcU/IDwLPyjtdz7bXwZARcWZPry7BMD5TOM/jfvxPx2Ogj0L7eC+dB2Iv2BjQL81sJC/gNh9v1Ah1j/A8EA/wbAPvydthz+VmfW/mlCSPoOmwj/gE/a/CMMHwE1ojz5jE1M/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dbf658487c0d41896069fbea68623846
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xGTiww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OE6Kvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2EdnvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "espavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Zmu9vkesuT/mPyS9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAkRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "Zzk1P3ol6r3+/ik7630av8UJpr5/gD0/mzscPn0Tmj/8lQa/wrWSv0lxiT9zc5E+sAubP/U2nT/dcO8+l7LIP9KfiL++phu//Y0QQDmo7b+jmIy/K7cRwD2TbD/kqQe/1hg6wMzFtT7h8JS9tNMGQOA4sD+cAa06PxWhv1Jx6z9etIc/EBeUv+SSo78SK5k/tyqCPmHPyj/5NcS/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 750604b6b1dafd2bb0a9617416098f7b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pff0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CcWGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9dfLvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GJ4nvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wHiGvrubp7wJit89", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAlRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "WoLGPu/AYD5ZodG8Jjdxv4DMfj5MPx4/dpjUvwdgV790jjc+mZprv+n00r91oD2/1+HiPk1re78M+Ge/1AK0P9EEgD85W1g9N0WePxGsA0DhamI//qmrP0jkr78wiM2/HhdQvwpkKsDm0K++fh8FQB2SIUApalI/Xo+xv5pbjT/Arrc/+0q5v6OV2b8satm/EOIVwCEHXT/O+9o/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 263d17608dd0dc99d069b6c82c74a223
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lFaqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pP1fvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ChMGvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4ng+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MEfPvskfbL/TE4a+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAlRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "1kzFP+AD9T44M8Q+l3w9P2kFAb9HvJU/+EkMv616gL8vPRc/5Tl9v+bc5L5gxDG/z8YTP6BRqbyw8QhApobPv0Xoe70DgQc/NeNXvzUEAcBsDl0/m0+2P1Biq7+fva0/pGT/vbhXFz/636u/lLiVP0/Jcj8NazG/qFvNv63shr9Kqa2/qzcpv9ZExT9bFrm/QoAZPtFMkT6V6BbA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4ba9f2bb273d7c3194a7f753ba4e0fe9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uZLuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jUeJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uLAuvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7OJmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vyuqP9XPmz2VSJ6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAmRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAkAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "Ut0QP+cgbT0Zzbe+2vUyv50fjD5Yh4Y+d3ynv6tFHb9j/1s9g8agP/+ORz9A6U6+6B6EPxAxoL9hYQe/QH2kPh1fDsBUsca+J2gXQFgtqb+gQV2/hsStv2nVwD/y87S+WDczQFEbCr++AKq/d0XCv0hBsz/6hLm/y+vUvx6DH0AIN4Q+8QcXv6Qu3z7QeM8/Ql8qQODGDsCBZpe/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ca052f2394477898295f0bdccbadb27b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uFWqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YcV5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2H8dvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "a2VSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0LNBP3oZRb1Bmim/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAmRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "dLDwPuqzcj5Ka8Q+ZjXTvuQnZr5hWMI/uh9svi8sWT+L/ly/km2Av8dJkr+xqKY/qhmcPxPrbj/cY0U/lHqFP3lHWL9t+PW+c9gAv8yqsz4KuyRAGxAKP88NDr5X6da/S65lv5C5I74n2Ne/bdmjv/Hic79Cj5a/n5+MP3lql73NribAYM76vj0n8j9eu3y/oYwDQIZ9Xb+vb9e+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1bf1591a633cfce32f94d16efe23c49b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "suX2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wveOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ePGevQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yHZOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5L0SP6w50L7l1Z2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAnRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "0J11P5yWAb69MTa+dyaCvt+wMb/1xXa/N98Lv/j+yr+diiI+3p20vwXKjT640Je/Zo/yPsKHiL+mAGw/Zs6EvGVTor8bMu6/apqGP1kWrj+XePw9UvFEP3v4qr/EdQJAFuB4PzqVDEA8sDy/LZ/yv+1yZT+y0o2+gsD1PxJk5b7jmhe/p9+cP11szj8bC5g/jJDjv6k1vD6TlQ7A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d2891029c32f2c51e0b2b477a0526f71
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dorDww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+BlXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "M94WvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "a2Ixvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VADcPs+Dez4RU+K9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAnRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "iqZjP6hFdD5ujno+HkAYvi7ZyD6iZU2/gfTkPtc1Cr/7PqQ/XwgCQEyGTz8eJb09MbAqQLxVIz/4GV8/DhhIvw07kL8GR7M/pynKv9EMZr/bYs4+ABOIP0n7N78a9QNAnmmqvxbUIL4IAji/u1VePj83kj99zey/FegjwOJarb/LdfI+vvCSP7/xwz8rbeu/i1/Zvgdfpj9S2ibA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3392e64a37a752774c46648467ec10e6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MXTFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "E9WLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CJGMvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "omFRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "v309PzD1p7/rbh49", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAoRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "Fj2hPsXOhj2gHyU+9LEyv3A9Jr9YCfK+8Yc0vpEVrj9IWW4+asjGP8mcxr5z6iA/PZOtv1rdtj/ySJi+ZDTYvyJuFz5eTj+/rsIlv9qqBsCfQUm/144Jv0qZLcCwmO89qdQ3PjMyFsBu/Lq/c7DKv1D8F8AhIaO/8MfZP4+Cu78pAeU+J+EWQFrmpT7rOpU/PFXHPoZVCkCHEy4/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 300516a5248bd9beb943cc030361384f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G9TPww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5XuGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "llyFvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "f0lKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Gvr3v1OuOD9kXaw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAoRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "xcxQPiCWE75QEJq+HpMov6ZxRb7SQrG/VUb/vy3PkD5UQ5i/UYNHwLerLj+zFoS/t68xvliUpz7/tmg/O9qYv1AsLj8KMn8/M7aDwNcAhD9z7mm/6R4uPzjctD4bdPg/9WCJvkOBJL/z4R/AG2cBQLAZzL3Kue8/zNVHQHDR7L4JYew/1cI1P+geb7//rBzAAwupPrEKPj9r3ThA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7ca6237fd17b9be9212339d7da098da3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9GvFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8N6Bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RxwyvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HJx4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UwUTPz8dL74M6ru+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIApRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "nL6NP077Nj5r2ya+Ks89viVghD/ytni+CN4GP6sGMb8MpZm/ZtYgP4oP873Fkp8/rlAyv88Cbzudtp+/Fqjmv2lk973FiOu/pi7sv8HieL+gzxnA3UgHv8dmIz9N/48/ZtWIP49PTL/b7wxAk4HfPhQDSL8zRUBAj4cgP/Fk2b8wmpy/MmSJvmGqBkCmftG+GEkIQEdZAz+r7Ka+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fd9e0853e7c67af8a41a359f53966bbd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nnLFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jzRYvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wHebvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "l8VEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PGu3vKX3zT5bsY8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMApRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "J6GSPp0dZr49+xM+ueU8vzjvjD3KDUK/XDrMPgF+VD+nBog/LZcGvxNN3T8ByDk/z5Kevwu9pT9zG8S+i6hOv1OmK0CCdpE/KW6GP67QsL+iauY9JYGOv4Q7Kb82O9y/ZP8/Pyc8AsCiOjW/B1Dwv7zZbL6p+A7ApSaRPzoXTT/oUOw/FKb7P4k9yb+t/ng/1jUbQNm9HcA1FU4/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4d0e0220633b09b38bf49ee0ec8bcd08
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Vv70ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "D52Wvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "D5qdvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Fm1evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "v/Flvzbl+j6tbpU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAqRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "wOHgPr6thr68auw8IvAiv/2Xyj1INXq/VNJ1v9oNjj9uEzC/aq0SvqJXYL5DHKY/fD7lPkf8AT+v3xJAHzTUvy1Gcr/fFGy/QcbQvdPgeT4BBRXAxnlVPrM6BD8ln1nAhFvLPy614L4bEwq+4XQFwOSkfb+G3eg7v1gZwDoNRr/ChMy/huCtP6+Dgj+ugfo/HbL8vIv0ET+xQFhA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8da2c1a5350aab39586d070d97358f04
username: gastegger
key_value_pairs: {}
data:
  {"energy": "52jiww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZJOMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GQIAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QiZ5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "36Y/PzsBjb7PLGk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAsRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "S25mPqEmPr5HMRa+q26Hv/67rD6xeyS/27+5vnSbPb9yEKW/PD0XP2x7bL9FiZM/xwduvZTaOL+qjgBAqRzLP8KjCD+6IWy9jyY7P0gEAMCjXoM/qBOIv2OKoz+6JZi/vFoSwGndNTpyJRw99MnqP7RwDb7MLI8/s+slQDUSeL0SrOM/Sx5RwE7oeb7Wfhk/yekLQCabrD+OhDO/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 89129c1288b505c37c0a09ef84f2e72b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6oDgww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "16B/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "b7fEvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IEUdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "N3EUwGCTtT2vX5C+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAtRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "j0MTPzA3dDtGs+G9a1Yfv8xlpb1lOj8/TzAKP3eaOz4/CrO/gKkkv+2Qnj5jhAXAkOH8PyWu5b13otI+3VXkv9jwMD3rMES9gM7dv0HUbD5bbLG/bzstQArvO7wGYNW+mqMrwBwC2buPytM+LdwrwCK1pD6DPvO/lmwav3ZUdr6aigBAxBkTQFC2lb4KPMc/kJrFv1PAir6SGhpA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8f5320c197a8a49c94766cbd6a54058b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "a9uhww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "beR6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LLYJvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4nZYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "asELPTjzgz/cKQ2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAtRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "S3i7PmVnKr3yQ8q+1i9Yvw9jbL/RZLO94lLnv/9dBb9nLO++52VMv2JP9r/SSRQ/PDXQPg5mOz5udby/61XIPR1ymD+2DZ4+xc/HP6jCLb8RKNk8Ca62P9Nrkr9n/mo/sOkUQAgXpLysJ8Y9dhXpvltsDkBdp/a+zM8vPo8pHECKDK6/0VO8v82t/z9GGFW/mVgAv9J/R0Ad4hU+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e3593f7afc4f582a19a974f7b1d0659b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6oLgww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xheVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6DPgvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mBU6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zSNfPwB0iD7xgDK9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAuRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "Imy7P+y2+T4ME+u9OlxZP0PNEb8n6zm/9dDyvgkCab/Qwum+SiopP8D2oT/Grlc/uFMUv01aij+lcIo/DamZP6+RA0B3Fq4/vfUqQJC6TD8wWK2+pfmgv8iAcT28hcI+DGghwHJIZb0gbuM+AgNGQH7OMD7DXoO/jsR1v3UV/b87gmm/WxU4wGDkLD87rYg/yRmGvjhXH8CSOLq/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3d11fa35b12e994520cc13194db4e7f8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4lDHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "l+V7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GCR9vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kZw8vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jPM3vk0yaj8IlK0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAuRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "XKONP6kugz6TH0w9mY/cPaSggj+g5lc/bGJMPw9Mj79sjKe+s+C3Pzp/pj1E6pK/RJOSv6rtkT5wq1U+8/0xv1bbkr8IsV6+Dq+1P6TM/b9jZwW+p6O2v/VWXj8Gfyy/SHi1v0cuB8DDT3e+kFb/v5bcXj5ijGM/L8hCPlU5Qj+U6/M/gGktPtuWGUCuax8/S3bGvmUJNkDweqI/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d23e273e18bd0d9de405d4ec29d755b1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ajqsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+fdZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Y2EIuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "c9ZXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZcfGvo/fez7B/y6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAuRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "hkapPtE9Qb4who4+WoQhv9IGMb9DO0G/fytaP9K1BL8zcIO/bICkP6c4o78qB+M9uRKBvwRQ27/R6Ci/TNXBv5yLhD6dLKC/FLq/P7CctbvzWty/0XLyv6b8l70EggTAW9vtPg8bYz+z7Z0/3q8Nv2o3zT+gMNs/8bPJvxegtD/dPrQ/zli+P6q8ij+HFsY/D/nFvmTaGkA05hlA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8adc8de2eee15197aa9ba5a8c627b508
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+qvRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2v9gvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UwUDvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DvW7vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4X8TP8v4Bz/aAy28", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAvRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "0g1qP3xLoT42vxm8m9G0vtSZ475l9rG+Wqd3PzEIYL9WYkK/ApMCvxEcS785RY8/cu5cP1LZ172V17w/iftqv7A/oT64csS/1S47P+ww1j+mQCq/R5y3v/95kL8kLOY/czouP6WGNj+NRwtAhG+PvgkYwT/YC8W/fYeNP9aRJUAFtGS+eBnYP38yOr9sKOk/ae+xvwJ1Or5szRfA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2ea8e6029e1d7d0cee5b8c65ec62e10d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oPnbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PPqHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9PkovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+7Vlvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "r5mIvxWMij1DOTE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAvRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "PqFPvZSPrD6v9a0+P8Kqv5LfTj++b3A/Drq6v3A68T+JnkQ/oiSqv0fBIz+ifQFAjO8ZwBHiET6racc+BrqPPt88Fb8hNhy/GiQIvywUwb+EnLm/mK2HP2LraT+ybU0/iKTUP9fGCL/WajO/M8MJQGgSnD7hP689eLLLvxdpsr+LNJ2/Nzl6voQRI8D/P6K/UhG+vhhHp7+p1yDA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6cc1dd40beb8065ef2c5ca7879cd7170
username: gastegger
key_value_pairs: {}
data:
  {"energy": "U2/iww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dck4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gC0vOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "K4Y7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "raMKvzJ3vb5t52M/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAwRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "R9zpPkG+Cry7ix+9aSI9v4/OdL585R8/jshqPmqnET97+qW/faSTv8MvKD/Mfqi/KyG/P4104L5gEEo/Wo6FP45BZj8HxwjAAujivzuEJj5pUw++PXhoP1mfZ786j/M/SXbRv2K0hD/pHgfAzwL3vkLmS78y/Oo/Fng1wMA0IT4KZwk8k5WmP3mcqr/KrDNA/uEhQF3bvb5GawI/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 244f3c247cef418a71a90f0ebecabd24
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rb0ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cTuUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JJpAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WVB4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "O420vYRHmz7VlXe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMAxRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "1XexP8W/kD5fO4+9sPN1PuIYyj6JB4u/t4l1v8AxJD/nfCC+Z8QHv8tWFb5JS4o/aX10v24X2j8OCQA+8ecNwJWvpD4rSCW/UNgbwBtWFL881MK+GbTbPu+vmD9WnOe/fOZaP0kfAb7s3ZI/Nu9CPWPfXb/M0di/j5gjQKaQ3D6ffm++ks+av2YDOL/3kO8/XQ5RP68Hib+tPg/A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eaf09f2b57e844861c418e09776a3be3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3VDHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fzOBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7dKmvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iP0uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jBXNvxni+L6sczy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIAyRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "pOUwP4JEbz4r8qo+9uqTvpzKbj6AlL4/p7gjPQ7clz5G8Yi/PWJ0v4coqD8ohYO/atxXP4HRDD+nC+O/70DxPyG2MD6T+e4+WwcDvw6qgb8+SLO/SPXPv/5Wjj8PMdi/wFp9v9ePBcAD8tO/EMazv+RxQsBZ5PG/6qurv3fM8T3MV5s/encUPuw2vj5QEytAwqQgvxrFsD4A91VA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f20f06f2761984cd2b3c6f16ff08c98c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Efn0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "STCNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uTWpvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tsVFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2PAUv341B7/UDo++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAAzRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "8YwJPwqfv70tSbY9diTQvhl4jr+6YvC+Rfzhv7mz174tBgS/Iz4Svsb6DcCF6Vy/CQaJvryukz8l06c+2uvHv+lXaj8g6uy8NRv1P7vZSDwZNLa+GP/MP5fW974xl38/IQXSPYb9C0BY6kw/2QEHQLaoV78kJGO/vvDiP7rnqD70fcw/7P0JwKjsxL6RqsS/tokfwIPnbr9sLPk9", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ae2cb1e5011351c2613d59fffad0f3dc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O4rDww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fZNWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZJRnvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZK4cvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GsCrPmR1G78r9te+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEAzRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "FEWkP78Pdj5NLXS+LfkYPy9OiT+5vwo//XwkPyL+X78s20+/XnUwv1T6Vz/GEkY/i0Agv5Z7kL/H3xK/luWfv8r4eL5agG0+5dAjwL+P/76NkA0/EMtEwD5rkj4BEGs/2NomQPhoDz8y7gK/xyw+QEFjoT/Xq/Y9bNROQLhyZ75JpB2/4dOWPysXx79WaLy/qptDwFiTjL8Jh7C9", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5723a0bec7a975dfe4050c23f4282943
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KUfkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "A7GEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3UOCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GEBIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Jcw0vlUYi76J76y/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA0RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "ucRkP/HRGb2DBZk+8N24vpShEz+dlLC+pRPvPvk5ub/2AuK+wlnEv4LBIb6wwEM91SI/v6H1L7+iyIC/twscP+9EpL+Tz4E/fvoAv5/8+j+yhFS/gVTsPyF69D4frKA+VAacv7GiXb9Vfvu//HNYPyNX8b8GMAFA/4mJPxkxCMDaTIO/f8XQPoYmMEC6p1a//3/Cv2PYDECniZq/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e645a4f27eb1baba7d7e8cbf4f499706
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HFrHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fLZ+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ak0zvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IuNRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CW1JPylcjz5Ldmw9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA0RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "1W2LP9x7Yr4ARs08Qyw/PqIEVz/6f0A/ItmxviPvrT9WJR6/OjRpPgDOoL8KLxw/WOQIP8V3nT5SOKm/Dni2v++mpj8j1ke/O8givx3lvb6omp4/xKEvvI6gF0CSOl6/9W4KQPCHtL6lnCQ+IqJaPeLYDMBukpU+nm3Tv8ygCL94ie0/rmUPP14ixz98O70/2Ck/P2yT5TxWwh3A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6c57873ff5d818ab6dc5a80aff5c6c61
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Efn4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "42uHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qI+gvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8o8+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "izeyvi80Fz4niFo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA0RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "09ERP/+GC74AvOe9/Mw1v0ieaL9XdFy+1bfgv4Th1b6VCig/gQAhPxvgcT8bSC0/PPPgP6bjCr+crGO/rr3Hv0zrHj9Sz6s/gyHTvqlCrz9xGrc/ofMUwMUWhj9in/0/Zp7OP9Yiur+oyMC/NDURv7ke/b9k+G28e7nBP3WIxz8O9Uk/AU80QHgmOj0w9mC/tJiWv4NjU7/9wMK/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2205bf83bda5ec375d8de78b2ed48d0e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LG/Fww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XcGGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AFcyvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pS6Bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "roHdPpfiSr8Wai2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA0RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "HFNYPqJp4rxacbG9ZW4gvybugb9t/0q/eWK/Pcx3vj5/wJU/UMxJvquitL9jQ9u/RKifPz5aHz9l4ym/E/HLP3UfDz9Qv82/y2fqPytBvD8pD1s+WySMP9ETpD8XMaY/KAECwKJHPb9MG16/v2WlPyyS6D9+xw1A6PPMv+GE6r+jTHG9c5rYvzoT17+7toE/p87sv9uvNMDDKt6+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 72bc664f6613316940eab2c567c6423a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qCf1ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "y9Zqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OKQRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vW1Gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "knQBwOz6fT/5SY0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA1RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "72mMP2ueGb7GFzo+Me+wPj8Xqj6dHqA/l+KpPho4w74itIe/ZQxsv5llRb6yq5q/bl5tv+g/Aj/SgIo/i4oWQD0vyL7kSko+mpUtQBOhN74pvpA/XV19P33cVL/89gbA0dPIv8XEkz6PbNS9rJrcv74kaD8BdghAAKskwDGsjz6LhTS+mr6XvyUOnD9QWTtAD4EgwMJzwD++CPU/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2ef94da97d68f415f11a4b31827f83db
username: gastegger
key_value_pairs: {}
data:
  {"energy": "aT2sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EAZuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+WZbvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Uiw3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TfglPTyInb7t2BA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA1RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "ZX23P7sAWryTzc28YKI+P7ZtlD9Ojqc+TMfzvugduz8Kkrq+2K0GP/n6kj9HCLQ/c6e0PxoA/j8He5U9WVxsPyqFoL+Pz/g+5peovgDCzb8NmJu+KHaiv9fmMr+ARli+l4O+v5lzFT+2e9K7D4k3P4EBlr8rx8c/V12WvuCZF8A+4Ym/a/zcP50H/b9sUKg+XP8XwA6mhT/dcNQ+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d4ec3aa44ffcc808a6a8476a9efaba4b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4+nZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hJtMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VtP1vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GeEtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XmMXu3eEB0B6/F4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA3RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "vzYmPgyGlr7s5XO+cc86v7Xhg79Lqg8/T6jDv15+hb3oBJc/hrgdPjwBfz+foVM+i5BBv/rUlD9b25g/gsUcwHmVBj7Kahs/zhd0PzGQZb+nhKG/nKNXP2QSB0ABPB6+LYDPPwn5H75qI+K/VTzgPxwq/T+07BC/J0dyP61bBMBmPcy/mzVFP9vuOEALefY+6XbgvxzHs77aWg1A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ea6e251fe53a9b47643f924eb4e2cf96
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LBMHxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GoeCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JxTCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IAQkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DwvVvo/kIr/d75A+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA3RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "UCwvP69CDD3PsAw+VKjHvrsI9D2MumG/7qMaP2XCHr9i5KU/YQ31P2NqGD8VGFS9n1HoP8/S274VK+M/aXjtvxLXb70LndW+GFQNvgGQtT74vQLAgqMnQBNNmj6gon8/Z2kLwFazDL36s0A//hAswPQGW740dby/KVcHQFoITb+LjypAitEUwPHVrb2M0BnAqqJrwBRObr75BKi/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: da5b48a15ad248399c2fbbbb1815d509
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fVvHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ObaOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "s0N8vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hVtevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xlAOPmXHRr2Vt4M/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA3RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "a2jaPt4DPj60URG+JN4Cv2hDkj0Kr4w/D+iePx9ZXz/aaPE9o3G5vn+WUT9RXae/QmPKv8kOID+gXog/fSqiO/WONL9CAhJAOHl9P0vGjL92+Qe/rVOZvz7tSj4dZde/SIezPz6ACMDrOlm/jH20vT1K8j+kROG/XtEUPsKf4L92SABApzZ8P/m/pr4qoSVAj7Ezv0zvIL/P1UZA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e18e5c11f5c88e7353d37d183f294832
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8OrZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4gGFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "k4xcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "n+BSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8bqOPzp6mL/2C9Y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA3RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "nO6QP/noFr4m2zE+wpRtu6BZhL/Zc+W+ZG3NvgOsij2fp6a/rXf+PpVVcD9CdTm/so2IvwI0tr/bNg4/Zjf3vxvmLL/jcm4/J+51vyUGHcC2NHU/hYmYP1IPurtHCc0/8tfSPq9OCT9rv/o/PQUDQFIP6D443/E/QYenPheI8r8dcoS/zh4fP6yNBkCUY2y/iEQHQEm33r6E/Va+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d0ee3b4d8d1c20f249e8fca4349cc107
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ku32ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wymTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Mjx2vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "esRovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bcVuvwVpBr4yPe2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA4RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "U5aBP9Qeyb5S0mk3kjB1PsuHVb9kAIg/XvCNv6JFV79zYUA/Etmlv63M1r5+PTO/+yH4vwGylL8LQsU/OOPGPeXumT2YMpC/3a3dPqeDt744nwTAxsYMQAhk0b55qvs88eXwPcNtzD8SbKK/qWjQv9w7pb8xfKK/ENQdP0dmFkANRvW+M3rVvpMk+z85CwvAy5wFwNjiqD4cKUO/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ce98522af75b15afba6d32ce4b2897da
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BIvgww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rMSEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "g6U6vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "999avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HuHIv33oArw427y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA4RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "OoXQPpzuJD57r4I9ABPdvks8lz+Ry62+T+3dv48xQT/pgA+/GbnpvS1qCEBlFOm+lhaqvvMHeb95vPE9Worbv3UhQL8NToK+ZIEqwGO1tj9KKmq/19AawKWkeb+LpQ0/R02ZPScY7b+GW8g+4ZLUP16Stj4/sqM+4wkYQLCsMr8rTTM/p4ZCQP4QzL+BwYQ/DQsBwIc3qL9IW5K/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 838f2099a7b09b8f046b3fb2af05f7e5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+FfHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UDSHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "46nHvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rpMqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "soCNv5eLiL784z2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA4RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "9wg8P/kWkT6IIlS+7GYnvyvVur52iAO/blmsv1yGST+QMIQ+f83TPGhvvT+xWOM+ijNXv/Pgw765iMu/KqL4P4ETB72oM6++kbNBvzBP4r8bxeQ8s2Tkvz0T9T69V5s/foKtvm7pLsAtkQ+/VxbDPsQUIkBGJWE/aUGav0d97b9NhoU/JeICQP9jc78NxUm/S2IFwPHqrz/r3JS+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f73674e3af3dcd50a6aad3fce588c4a3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0lnHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mYSDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "O3KEvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FNBEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1/qWvwkb3r35SW0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA5RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "oVCTP/zOqb6/G/a9l2CiPt7jGb77mpm/VzeQvy2Fe73SuGy/0I/Qv5E9vL2AFqI+gnxAv0xM0b3Qrb8/XiA1P2jlW77lrJk/+qZLPkrfgz+1TNw/3FKxPyD0Qb8Pyew/hEzPPY2F3D9k+Xo/a1vgv/dr4bwCTue/8LFMP2aW/r1BShPAswMtwCHD5L1xI/Q+TLmUv3bIAr9flBpA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5eb529decc6754b2a644b8b2a2e025ee
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OVjHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "S1aNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jxfSvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0jSAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cm04v2KEtD/qyqe+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA5RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "K2FSP7+xiDy/ZOG+cKlevatvmT8ij7a+goagv3cyCT+nIaw+vzAUv9bBHL8m1JA/lQX5v+YKiT0Axb6+FmUvP/RIZr8/Gw4/CCd9vxeKnb8xnANAc7TqvyPVlD+VqoE/tSilPi5pmT+f8/C/x2+aP9nw07yDXdS/wBSnPhqrA0DAzEs+qLH7vlgKcj+EJSTA/zhaPzCJBUDs8g7A", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 367479600e8c003fd85d2550b430ddcf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZYH9ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AkqLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2iCzvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lwM9vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0jVLv2OXiD5qTUu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA5RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "yt0SPx8c+j1y/6w96IQZv7fY/b63I/k+D4nHv5bHQ7633OS+GhzLPlmDTz/uc4m/mNtevwJ4Hz8LkrG/oy/oP5fUlz0kFUA/fpzePy9VCb9qHNU/1FozQGciID/XC7o+7DEyvyaqo7+2qtQ/ncclwCey/77K5eq+a/JJv3gL9r/GtSdA2oC2vwyskz+Jwh7AI2o/v/a11D8bjTzA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ef26ee878b43a52ec5bb437f2740b9aa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yOj2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fJ6Pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JZE9vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "r9hvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "n+Vhvxg+Aj/wp56/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA6RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "aTmmP4yXrj3Z00U+ZADIPkSjTz+7g0y/DVhevz70Xb0YEGK/GLEbP8K/gL89kzU/LiIiv5pglr9qbN09BfUZQM5QtD4m3wg/36XKvy0Elz/MiY6+xqesv/5FBcBRzMk+1gOmvu848T8ngBu+2BCev6Qc3L4s9eq/mV5uP0J2kD9drNi/CHoFwIB7hD/gmy4/l3gQwHb81z/SdXm/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c3560253b546fb9e43dd6e7908fc8560
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vXTTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QiKFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lMDmuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QIeBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wf92PkmiNz9gsCM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA6RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "gUWPPejLZz3ruDc7sYNzv3IaST5HOow/Hluxvz4Bmj/O3oo/3PDqvakbgL/u1Ya/H8qNP5RESj8tIbO9JRWMvz00WL9W3MO/X0w+vj4n/b9Lugy/30f3vs4RTj0k4QRA5+VnP8MSgb/i+QDAY//EP1I5pr5p6OC/UVz6v3oHPL9/lW0/dOOVP9OA3T+HX3M/6iz+P2ZJDUDK1EI/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6a3bcf6e6abc45584134f3c08a804564
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Rk7Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Y2KDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qFYfvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HO9evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aVIKPd6w/b7fN7K/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA7RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "oW+pP+o4iz6p9Q+/TBJ/Phe8lz/rUz49IRgcPxTkiL/zcRq/3Stiv4DISL8hjVe/sWSGv1p42z4IDC476IHJPmZgFEBBgNo++cuMv8vReb8rUBo//bXGv8WJkr9wic6/A+qXPunrtL9jEEc/rF6MPzjz8L+BE5K/nQf/v0rAcj9tvuk9a4rKPwWuIT86Zci/S3wOQBxxhT4LQFM9", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aeed0cd9774ad7ffa872a247e3dc73d6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uGOqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+PxQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Z5jaOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "u9FXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Ew9AP5sbM75lNiA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA7RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "uX6RP5EOpL6A6Pm8IDE/Pgq9mT4VKlm/zd3dPiQ3Qb+SoYw/ExyHv8b81z7PMYu+qepmv7W+Mr6XmJA/CWXAPvEBGz/q/uS/QPMbQMQ/8b4rapu+f5OCvw+sID/Pc+8/JQM3QBw4u70vfZy/1NRFQFUlfL/J6MU+zKPXv2z6ar/Xrac/9hN1P5IRSr//nfo/gNcCwJh6Zz/hUEW/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9493089d637d56ded0d456436c4e7407
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kRP3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7xpkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dxRnuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nX5gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RGnvPSMyrDzvAzC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA8RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAACQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "sL0VP1KBQb7h4Z89gi9SvsCykz5LxXS/DlKdPh0e4b6MM7E/rs/Bv610Iz/uzVW/NFb0Pysw+76zZkO+gp0XQAGXZ792cHI/tTwQv3WPs74xNgBAH6q8P3kSaL80bPk/ROoMwJQ6ET/RVGA+L4H8vwu4iT+zpAHA+cd1Ph7kzj4BDe2/2tNJwPB5Yj9bQ3Q9e5dXQGTHnr8WV5Y/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a7ea38db64f618f1398a121634437dd2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MHbFww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Xw1gvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zQECvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7Iw/vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+RQKwBqojD8LmKQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA9RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "sG4jPzPYwD4eAdi9noA6vuSIN7/i7bC+4b5qPIZvoj/6GDw/2S78P2N3Dz+7VCy/jnUcQCZwwj9s67a+4uIiQDreVb75eLS/tzWivxT5+r5CO7A+s4eav+QKNT8v54I/Ofvxv6G3hz9HCdY/4jejPgo8DkBTKpE/VDwWwB+krL94s/c+k60PwCw4CcAJcAi+ThBQwKxdab9liLQ+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 43b149cce8ceb17b80d2c6fd48f88a5a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LuzZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "u7SRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2o6JvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CaJevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HcmNP7mqDL+Kkzu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA9RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "UrUBP8WJ3TuVyrK9OPdHv/PY1T7C3xk/Bq/1PlxvUL/49ai/iWXxv5//Wb7jhFo+AVNGvxvpoj+KBro/UkLYPzEGQb7gv1c/jiTVv6+MUr8n1wa/taPQP2Vddz+kx3y85m+6Pwmrp73R7fI/wAYcQEHMbr88MBY/5xakP63Q4T8VxgQ/A0UAv+nhtL8SDty/v3y4P3YwW7+zsu6/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dc650e0c71278d1700e989daa8a9ea8a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2enZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GTyMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yFy5vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zsk7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TWcnPrHc0r7Xo7C+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA9RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "2KF6PktsPzyaara+gZQMv/cXW79Al5g+cT6tPrKFqT8rfUg+JNQMv6P4DMDTHMm+8sOhPYosEcCEn6a/xjQjv4Ao6T8LjkI+dO4qP3i1oz/qy54/+mCrP5KHBkCKkCK/4j/vPyiZvz8shLO/pFOZvxx3EL96Naw/w+2Yv1gpSMCGmOc8K/bbv/33sb9X5dI/dzLGP1GSUUD77/G+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 55216bd17331ae91df92323ac39bb236
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4Qb1ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "322Ovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sKx0vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "krBfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "J4g6vY1dIj9sz6y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA+RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "o4ObP7roWb34iVO9VVgjPgJqID9sr0K/zZ9RP0Wv2r6MH5w/fUHevtfPQz7fy7Y/jktuv1r3UT+TNaA+O//BvuYND77/hPu/s2LlPnAG0D/ZbI+/Nr79vw5Jsj/iyjU+FwDqP89ELr/zUw2/LmISPqK5kb/unRjAx+Vtv7Rg6z03ahNAwzizPzusj781rwBAPH2jv9NWoT4wSxvA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 43825f8ce7a4e0a5cc7458a7322594f4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ou3Zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bjVbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hbYcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zQc0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kxhsv4/CDb+M1hE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA+RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "EAJbP/OysD5czIG+kpCQPRLAJj//vqm/pgs1PoB5vr4Yk1k/DWCPvyQB6b3lFre/+sSVv/j3377oolQ/A6HyvwhGY72eR4e+Lk2CP3RCU78Z1u4/p15av5+5lL8PG9G/PVb/P3ApPD9K2Ua+JRHlv72IQb+KiNQ/tDDyP00HoL4G6u4/pePZvzz9oj7AfQ/AHHkZPz8YW7/DPzJA", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5b8c038e14e7d7768bb13bb51a0217cb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ROr2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BiyRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5BVIvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "k1Jwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FoeLPwskMD/bMxM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA/RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "hy9/Px/xXT5Car88n5XQPKlTZj1hpI2/+cCev7otD77agxi/Pv6KPjfChj2+ohHAF5NOPg39r73vx6E/vO2Wv8f1xr4JQko/9BYnP0ytqz+SoXc/FHkWPy5GHL9JFAhArmUIwFwSR7+mYrE/hGWlvZD8BUCtdDM/XRG+PwHI1z8l68g//60SQD3YUL6G7TW+WHIhQN94tztp3ou/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c11588f1b57ecdeab3c2cd88c5b08060
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jerZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "J9qFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ub5gvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uoRTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nYU9v1Dk4T9ybRC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA/RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "JH4uP2Iqhz6QF22+66quvnxrzr6epZq/S+J/v5rtdz88Hre/Jo0FPn9axz95/yy/+SD/v+9jgz8ypXa/dQcEv+LWwL8kh86/YS/+PmgpVb5nPps/aGmKv7Oopj/hDB7AP3cyvXZXEkAg+Ek7KWH8vgYmyT5bc/U/T4rdP5YRxj2O9vm+Islrv4h2iD/ly68/wbyUP35Dir88mtg/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a96aadcc731bdc6285ed7e615fb1ec67
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2Q/zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rb2Pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ysOCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dRlevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GQQWvtAnpj9MNxG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA/RA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "BJktP6HjZLxHLdg+b8TSvpnRfj9QMBk/W+iCv0e5sT9raie/Ov9qPO3n7D+lTZA/aqz0vj9j8j8g1Kq/6PEUwOQDjD/eeXC/TN9EwHAEAD+T+Ui+IvwnwAdPvD8Fqfe/TUDkPpZqk78cklu+QfvZP5Xj6r9xNi6+ofzzPw/PsT3Ue1g/IqgfQDO1i78F6+M+yTebv7uZED92hpo/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 980ae0b189df55ca4a6d32d10ae9622e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ilnHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3sdhvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QGoDvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PLu8vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7usAP7bbrr4XK2I/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBARA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "1Tw2Py01Dj9oeqo+uyDMvt+3ET+JJ60/kzTRvogHtj/EJgJA3yGzPsHAjL5dB2q/bnfAP53Ei727bUs/PVGVPwq57D+L7xM9J58FQN0c+D8PKJQ+w2UOv4YGsr9mHxu/IepRP67jTr2kagDATuCkvyDxr78z7gY/vqAyvybFCcAsmq6/ND+lv9crrb66FL0/qv7/v5ilCsCfaj0/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 299ee4b6c98acbb7a776cf89c6b0c600
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JVTHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ofaDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jJ5bvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nwVRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5X4XvyYZSb+wyVo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBARA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "ph4mPx0o1L2kI6k+C0sDvz/VeD+KgyQ+2oTKvo00bb9OSI0/nv++v7Tf1j1clWg/5DW1P4pWvT6dh3M/7v3Fvx2WnL9psJE+dy9cvmHjwr//lv4/a+wTwC7D1j4ObMU/2s6lP7o9Nb+nGWK/Wx5AP/w5yb+5F6q/OWwUQI5dm76366+/hjSuv90nm79WXTe/w40Dv1frBUDocnq+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 99547dbf9165a4c1e4881545b97c38be
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ow27ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aQJ1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PgeWPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qOGDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "J73LPzEIxL/onyA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEBBRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "UcMHP6RWn75mD+a9YMgev5fahr8QzP89dcTZvxUqE78piNE+qD6kP5S0Rr/29Ri/7mrZvheYGsAgjAO9QwYaP4wbjT97ueG9tZesvmV19z+3f5M9CQv3PiU+M8Bx6jo+2eeZvxDKPcB1a5k+YOWcvxEiuT8bSy8+8iv0P5Ewwj+xtMy+WrsnQNuQhz9XXR4+eLv8P9B+IUBKMqO+", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4062cad40d6c27eb7ca25f9fdcb5d0ee
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tluqww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wJVcvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pROJPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Nbhtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "P2/qvTW1bL3cnS0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBBRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAA=", "_shape__atomic_numbers": [13], "_dtype__atomic_numbers": "int64", "_positions": "0ka2P06c1L48lX8+fT8aP/8rC75H26g/3ufuvqDFMj/IYlY/JguaP8zLcT7Hf1a/PjncPik+Vr8ihAFAuQEPQFdBkL9rtb0+kPRUvBE6fD80Zhu/VIGgv5rGJj6HVa6+GkKjv8JRmr9IpBa/Ksgmv7FUsb98xKa/Ta/Fveho+T+TQ4y/GI8MwKdaKz9gAQm/b0xivyvZtT8BtMM/", "_shape__positions": [13, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2b065d2562672961f825288c1f3f3e98
username: gastegger
key_value_pairs: {}
data:
  {"energy": "u04NxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "E4CHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LjcYvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WvJovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EDtjv6CJyL9l5JS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBCRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [14], "_dtype__atomic_numbers": "int64", "_positions": "Jku6PuwpQT9N2Ta+KRkiv6Zrazw8d8g+iD5VvzOUqj6ldtA/JPk0Px5jJj8zgY+/QzDJPYl4rT8VXvM/aupbP8/Wzz+yI0g/+f7dP+rsG0DpCDc//C+6v2jqgb96n52+oXY1v+4/DcDWBCa/Az7yvynyGL+r+pu/pCsPwOaSrL/GCL4+CWbHPb8OCMA1VNu/+xmjPtS7kL8eyhbAwdIHP/VkR8A+3vS/", "_shape__positions": [14, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 149bb4c7f3b42c52b49ea7663880df6e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "q1iiww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7pV5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "N47YPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2lOKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CtxKv7xXnT/tgdY9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIBDRA==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAA==", "_shape__atomic_numbers": [14], "_dtype__atomic_numbers": "int64", "_positions": "bNhMP9CxSzwitaY+U+mUvtIfgT/E6rU9ClKYv6Hfiz6f8mG/F3DUvxLEAz/aZgU/L1PwvlThhr97XZO/QU80PyGqjb+BEIu+EBvrP5p/kD6H65I/hVGdvR+RBED4UC49p7rXvx2YSj8i8ti/B6jXP5ONkD/++ck/dnmOvwD99b8X4Xe/KDDavwoGo76ZjZs/2J8OvvBpj78hfAzAi0kbwCBDoj+1nCo/", "_shape__positions": [14, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


