# systems

unique_id: e492f20d2b24530850e31ed400ad204e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zCruww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mzd+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mKSyPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "F0aKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/TCCPdUJ6L4qAIY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABDdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "QIwCP5W3jT0eq4I+Y+xuv+M++77GpnE+VWZLPK+Qmz/gIZQ/IsCav4PuoT4y8ME/ob6WP6KXHr/LEUk//bu9v8pj3rzHnRe/0y+Av6QOnL4GYxlAq4IfwFngYj/iaMg/0Reevv47BEALYA0/rK0qPxkvxz/B1vo/p4QnwFYkpj+lShtA5saPv8Se8L+1Nps+ZVmJPz756j6E8nu/4EADQE5xnr6K3MC/siMZQOZEjb+FYlS/h2AfQPSJkr2qoSrAaBdPQEIeOr+mDTnAYyG5vwKoDMCbPwu/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 45dd1ec080a5954193dfd209018367c9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z5IFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jUeBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "j/5XvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "do9Mvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UHCVv4TTgj4ebZy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABjdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "USn3PqcVTT0Pg38+cGr3vklSXL92uXK+p3xRPhLzrz9GUAY9jT6wv79MXr9KYsw+DDBrv4Ic/z/O7lI/PeJPv0sKFr/QZqC/8GTdv/mDrj95ALo/SsMVP434AEDYR6C/Qb2rP6LADEANfWa9Md/sPeDLEMB+Gpy+4fKkP8ZdHsC+7QO+yQaGP5xMrz8AdP+/TPNuvwqORkCXLEQ/UJxjvxXyVsCa9xq/zYmIPUJpOUD618+/xcO/v7D2YsAKZ5I+QKDJv9RXRMA2IbS/aEq6vrvGiMBTMWC/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8a099d807dd6a4df503633d6f7a2332f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ka/Zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OUR8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aAMwPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OKKDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "s5ikPwfToL9bmeA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACDdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "NS4BPw2wQb6le/09Qa9+v2h7Vr6Wfvo+dMWMv/0hNr9I3Ls/DNbdvwscYb/PvAC/tq3Dv6ZDkz9R1yY/6eHzv8nhDkAJp00/3W6NvxB5xb/RQVe/oeNgP485xb/sbXO+wzZzP8vBBsC7Yho/r8KGP0heXT+hoTO/vL20PwvcUT9HOjs/0gy8Pvm1yz+oG2S/y058P3U0yD/26bI/7K0EQKmK278icIi/CdH2P8bkm7/9gwHAL64cQC4QED+JJG4/m34/QPSRqL/KFh2/F3ANQB46MsBQyp6/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c99202e10d3e8f5ccc14ac87188a9d63
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OLLZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "x9duvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0VynPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "seGBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dcjNOtunwz7y74e/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACjdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "+ktkPvXM976++3y+zml6v68W5L4YHyY/oRd3Pg+RVD/6vnC/S5WWP+vYFj8MjR4+aockQHJbxj6fX22+WCYwP6L02r/tpEq/KJfIv99lSD/+eBM/pbN7v0kQyz+yk/K+M4ncv4iZ2j+s7aK/inKxvzJetr/q5Ko/MZosQMUeO77Vf5S/4AbnPX/9/79mp8m/OWEPwKacmL9Z9es/lvEbPyH7bj9ydfq/024YPyK3G8CSK6e9sGk9vxUOJEBcGEa9FXZFQNtVGb7CnxE/p3lCQO5Yrz9qDa6+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9f1651581f41d0fed8ba5a3f5d37be20
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tLD2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "102Jvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PEsQPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MdCNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "y4Q/vliQZr8GDaG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADDdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "H6jQPuvSiT4nz6M9vDWHv/8L5j66jom+tsuKP880Zj8pLPm+0k11Pzirh7+QzPo+RqTYv6D4kL2RreY+HhtYP8XRFz1nzcM/PZCCPqx78b/PZBc/sWgHvpJ4mL2+vSRA1X9vvxrTL75dv1lAgY0QQKb5tL+uNhY+Qw8TQKBYxr/NdU6/hMqmvynewT9YL1++TCjkP+5l/T7GLuk/7XGxv18gRr1kz8y/B58AwGZLVb/12ti/8vBzvy0mEz9geS7ASSpgvuKLxT+38S7AVKCrvxIVyz2KdWnA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 782e2f741bc2a882cf73c53889d9f9e0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FLrZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "lgoqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "S6wMPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qTVNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WYZ4vhKgRr5FL8e/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADjdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ElTgPi66gj11kLC+0S02v1+DO79H4+G+l9ZcPyVyWD/+/yc/mCu2PwGZoz0Ak76/YN3rPz7tab/Dv9i/fHA9v0pXsb87dpq/c4rdv/K3Rr9uZ/Y+0/+1Pm8WhD/bZ8s/75bdv4GAEr5A1cI/aIQhQHaWhj+5l3i/jU0IQJKFtT/gTtE+mlcwwNHb1L/LTRI+BjNgQC9JED/Avna/YxgLQONjGkDvEhg/iyEnQIwA+D+Rvs2/ENw+wIJo4L+EWFa/7nBkwFkpw7/mMjk/v1x1PwQm1T5GRBvA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c641e3cf4c011699b00cc69cdd2d8627
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0yvuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xmt+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dxXSvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CmEVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CW2JPj9SBD5TXNU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEDdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "BFk0PyAmSj4jdTq+Nqucvgvufr7cSJy/MDG9vMIflj5cq5Y/Wj26Pz7kGb8HIZe9CLBPv/Thhz+gjI4/nAytPzAptj/6Wxi/X7UBv0FcKb9SSLk/PxtyP5IrJT9ptwhAhlQuP2JqAUDLn4i/nnrOPo9XYD9c1lpAaXBKv67C/j5cSALAsHU4v8x93r/Ul5a/dbnbP8x99D/TO10+LUCpvlAA2T9LEFpAPekgvj+tF8Cew+i+Zwe0vSt1urwtbHRAjoedP1gfkz/ab4JAaKXKvyTyC8CkqPC/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2f0428cc99a8cc723ebcc0b4697620d3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JYj4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "C+tmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5NwmPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IlGIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DhVbPyy8S76Kkys/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEjdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ugZ1PwW4XT3gUnY+RqZ9vQrOSr9xAAO/RLMsvc4fVD7G3bE/8RuHv67LOr//fjc/gQ4Vvo/G0j8bvIg/fS1/P5lHyT9IAB8+7Vk1PqEIJj2kmBxAXSNdP6md4L/UBnG/ggm4vzGnr750rTe/YLfQv7t+vr8CEJ4/Ua/ov5Pwbz/Aj4+/74FJPzCWAkAolE+/4JXyP79Hjr9AZOG9Qg0GwHqLjL+mzpK/W6DFv0XbxD/a4dO+etPwP4H6AUDM8Rw/FFYMQFq34L/1TDk/FTAxQP4DWr/gtDa/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7b7fe90436939bbb364a30f120171100
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DZLbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "b0pZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9dWVPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tRqSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "B0KiPmXfFT6jI1k+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFDdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "+F6HP6gVLb6gCng+RW5nuyqSNz9jK3Q/EoGXPftr2b7XFGS/x2nVPvGAsL+Rg3o/lEI+v2HdDL+nls0+MywHQEBPJz2zlUk9UKOdPdEqVz9cdQJAOa6ZvoQU/D/6odI+S/9YvpRURj9SJtm/gfvmv9k9Tb+EMM8+vrBiv49y8D/7OGK/CLz6v/a51D8FF0e/HUdJvygqN0Bqvqy/bNwBP4+LrL+yngRAz7ALPxn9KsCqnfE+wIc9P9lBjz8GYgfAhTJav7hI+j60cSLABSS5P9hGPsCKByA/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 80c79e5ede2438d5cd4779b3c459daa5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TZq+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ket3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RdlbPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vXCXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "H4UjP2Dqp77OiDo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGDdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "/XbcPj5Qsb3yDDM+Zs5Rv5g+9T7jQt2+wec0Pjlbnr9WFpE/tQrdP9M1YL3wEAq/8sguv7fZT79dcA9AuNbKvwaWOD+vTZs+qkE7vqX4Pb7GUzdAwNepvx79RL6/esy/h0h4v6kLzr/eBTNArV9fv7kElD+wFt2/uSuxvsgbAsCkVxc/49O6P38raj8p8Qk/L3X4PFXhpT+mQxTAedzmP8gPvj66Q8S/7i7TvzIL8z/BhvO/pdD4P5LIHz9xerE/++8aQJeYXr+oDLO+AzOTP70y078Ztbk/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 381b0da5ff3c903eb653c1dba245bd6e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gh7Tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pkh+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "a/SKPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "buGhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kX4Dv3QHEb5sW4Q+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGjdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "lo48P9jG8j6qu+y+5P7lvtnRST8SPa+/1nh6vyrY0z96G3S/gPhsPuIbT72s/GE/CVqzvqQ5Pz+uVLE/zfSxv+Jp174Fzbm/S7uyvZmuij8V5RbAQfwVv1uDmL9dTzc/O7SrP3H4qr7Ifme/XlngvxgJaL8xhkK9yfWsP9a5z76HQNE/6FfAP/RH0z9BvZO+Rk+HPxyUL79uhSBAB4Rnv/iwnr9PK/+/xVwTwDFMKb58EADAWPsLQFYHuT8v3Lc+F0wXwNaRFr4PCvA+QfkUwGDX6r/HS5+9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4aaf3d83cd5f70b0bca4ddc0b050d427
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DaMExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aVV7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "k+CtvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IGUkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WiovPh7cnT4W3iU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHDdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "wkTQPgomQL6WPp++spdLvwsxI7+d2y4+Uu7jv4NoVz3o+cA+zd92v6J+B8AR8w8/uQYQP+UIlz/nlEG/dngCwNnqGMBirgs/TTvavQmoNsAvmng/Vd+yP6Hdj79d4mG/IQjZP/VR7L/4hAK+avEPQB1hCb9WYJu/c5N/P+kR07//i+C/skiEP7ndsz+tSu2/D+dbPgKaCUDEUPs9QGa0PpyIRECE1oa+esUdvQ2oAkAog8Y/D9wPP1q0nj+9dP4/t82Lv2W/7D8YneE/ctaEPtPYPkBzIgFA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c4ebc986d95df8d6d2fa4ccce38b2f42
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Pan2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GjKGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6DOgPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WDWQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6WCtP0gWgD7bxCk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHjdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "pWmZP4l97b3HJ7K+vw7FPasMOb3247S/UWssP1IooT97HjA+LbP/vceYsz/cyJK/W5unPzC9p7/jxBQ/A0msPsoCxr+pr4M/nkGav05p7D7yll6/rnyvv5JBzT53FAw/YMOPvgPOEEBWkuS/eDmovr9hhj8phpY/Mz0AQPytib8tobM/qVYKQFnXEj0L7Fi/58XkPy3vGMBOI1m+myGwP/nXAEDuJwQ/r5YNPcFBG79yfhXAeA7cPz/MTMAaHZo+rLkWwBY/D77BCY8/cN4QwCR+W72NTwhA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6f0b3d09498bde1922f38f6ea23387f9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "T5zbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yHl/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1xRIuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dVl8vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mYFSv/8hbb9RoC+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIjdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "XR2JP3OSnb4Z64o+JYaGPfpV+L6tdF+/v3eav8z+gT5laL2+sPCaPuHrUr6yRcQ/3a6Qv1iQDz4lqZI/GMlUv7rTmb8xyt0/GjcUvpC7xr8cY4G/1XKSv/gdzz/lTTq/oNUUQG1xJL436yo+znIXP+7akD2VYgTA7C3av8rpWz8W2ts/5aslQNCcPL58p1K/kwNMP8hDWD4iohlAdwIIwEj5UL4bHEW/stFfv6D8BcBR144/oiCRv7xwr7+pnTBAAS5ZPtuYxr7kvjTA5o8Pv55G1j+Ksr+/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2ce008228c1b0e88710f0e3833ea2d56
username: gastegger
key_value_pairs: {}
data:
  {"energy": "acz0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bxB9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7KJovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tOdCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "H9caQFMFsz6KAq0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJDdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "y3tQP4/ptTwJUpY+3gvsvuLxPT+tesc7KO1hPxq5oL9V+q4+h738PyseOz9dWxI/fA64v1OO3r3yW/e+A84HQChPyz8Oumw9LT9EQAgIhb7hMhE/D2ERQJiAy78h0zA/YhKYv2Z6i7/U5gm/4RMrv83S/j+2RTM+2HwuwPJ1gj7OflK/wyo6wAF2qj8I9zC/vsNoQK4cWL6TcLy+ugEWPgQiHEAFWBY/EOZiwOhECr/UQpy/t7gSQDnk/L8htNs/mFBwQIGNwL3p9bI/48UpQANbGMASCyQ9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7138f1da03313fc4bd596321055a7856
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9JMFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wr6Fvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DAVsvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QXxQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "n44nvmAf3T1IM3Y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKDdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "w+0vP0qqXT4i4f6+cXNHvoyAvj8J3rO+r4CIPdn5ML6k8WY/k2ePv3wBUT+wuiQ/UfNoPlu/Jb88KtW/bjZbvwuAlb8wJOK/vc+AP/GMOr8Q7xzAYMQDQELx4j4lvhy/729tvml50L+K0Z4/VJZmvzmaBMAWMP4+AeSKPSttJ0DXBSm/DOI6PwJZdj5EWdU/dM0MQIMqsz/WZB+/OQk0P3GrDMAEBp4/Sg1Cv73N37+8iSNAb834v1Pxnj6OVQQ+XIW/v1/Jtz9wm7o/9XrYv98Dwr8XBCJA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7a0c90026da31e49803bc0936950d564
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AZb4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EY+Evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HGBmvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "G4ZPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qTA2vbqDyD7XwHY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKjdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "hqMzP0wnHz6vvMw98jAlv2MCEb+lTBM/pE3Hvf49tz/18ge+J/60vz8mOz8VqbI+VFIAvnH01T8Uopm/oGIEP4jDt74ZMr8/Ua/bPhN3tz6ZahNAOD3HPqJuIEBHxyI/uhQLwI/OIj/S4tq+JojaP1HJxr5eoFO/wJjtv7kslT+34J8/FHuKvytX878dqg0+20GlvmEqLcDTvIU+2O2LP8zan7/uxN0/vn+lveaiU0CGj8I+XioHQNyNsb/9Zwy/kBQFQKefPT4me+m/YEALwAdyCMBd3KS+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 785d39de4b419414512ac091248344cf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "q7fZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "24U2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bsNoPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "trZwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5L2aPgsM2b1SuG4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALDdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "SEU4PzOAEb6MTwW+OY3LvguFTj6h9Rs/PYqUPtWN1L7J9rK/Yuq6v4/OxT1ahIS+wur0P/YFDr4FqAA/CfPVvtd1JT87Q/4/ereLv5oeib7Vprq/hCgwwEVu6T5aDRU+ZKhIwHIsKb6bBFo/mv5dP0pvNr/2gRDAFBH/PhNamT9H+gxAkhX6vvOJRr7U5StAs9dAQJCc8b4Eeai+t8ajvzyZpj/NFwhAYyBXwD353z4uACq/EuFGQPN6dj5mJ5S/mpo5QBfAvb/HgD2/xNV5QMA6274XYZg+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 814f9dd6a297a6bb95603c5e85dc928b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IpEFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ea96vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MsozvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7LxNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bOwyPgwfUb86HuO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMDdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ttMyP2ksgj646Wq8MWI3v1g4973XmeK+HQAFPwElbb+FV2K/62tBP+nmTr+oovi/wD+xP6z/yT/RNKC+u8xQP5I6CsD+45y+Cg2qPyRvsT5ksa8/t+kjP+jO7D677w1A+e76Pz8gzD/d04E/vLPSvyfwMr+jmgo/o40DQOud4b6778w/boE0P1rWGkBf+Pi+a5cJQEkwxz/LhYy/G+2oPgxWNsBg3EW/0A2pv87PMT+JlbG/E6IQwItfNT9qh5G/yuGbv6sGsb85uaU/xUE1wK7l3b7ELwE/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9511c55966b482c7d877b55ef365cd7f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HJnbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Hv1vvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "v4GJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/16avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1q0Ov+22K75txb6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMjdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "OSubP94mYj4qsw88YTKpPmMliT9/4Tq/0LYAPyeUHL8GroY/gE1ov7KhiL+G/0c/dexSv3tp9T6wSZ2/jGXDv9eUFr/jAvq+I01Cv57EYr/ITt6/fJ8gv/NgOr3Cs+4/jv+xv7hYnD+/NeS/ljUnwP15Hb9qGAu/2SSWv2erBMCLDow/sVOVPxBgqL/rgsU/UfnaP5fG5L6RgTW/+wWwvyOhgL8HSiLAuJdqv+0dez9p2NU/h3gIQJnWhT8qpCc/K1M2v0HttL4jnjlAx6snQFipwz85PrO8", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c529664b919bb343bd7dcc731b58e0fd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yWu2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "eHpVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "l6xKPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zxKEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZcJPvstK4z4TYRM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANDdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "riOVP5xyIj4+RoE/bjCavpV9RD06RMA/chUyvz16oD+lQyA/hfBBP0KPqz8Ow909ipzhv9Ptpz5btsW8aGWGv16sC0A1LYk/li+bv+MuVb/n3jw/Be6pP4gilz1oLfu+QjrSvkd0fD1xsSVAkIQ6Pwt3Vb+YgLe/ffIXQP2kdz7uuj6/Wqfxv3yfq79iqqU/QAyjP3fhEUB1FWa9FVgCQGeXXD011tI/nmfdvzFjRz4S042/vdoxwMxoHT/xsIo+HQfAPpbWyL+/XhTA40+fPPaQD8CswUPA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9e2566bb189c44e75c0e0f1331f5125c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WvStww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wVJtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "P1WFPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "af19vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "i4ktvjUM3z605RQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANjdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "jntUP9ZNqjx2hYi9pwOfvo6bEz6eyXc/7IEpv/NRoL80tQU/RyO5Pmd6pb+4uPS+B0dyP+jCgj+mHpW//qnlPx+Ysb1pgec+o4HPv5IfCL75z4Q+Uus5vhicST/sNRRAOCpDvk698D+SPw9AfC5AP6RC/T5q4TNAee0jP+A3Sj8kCRzAQmuBv140AD8r/z1A5H9hv9S2CsA21Yc/wZ+oP9eo/z8To1q/MziUPkqPPb6EXzDAQtzkv/L1Tj4Co0K/f4AfwOYAz70NLGg/edM+P7tnxz/ijkzA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: de396678a5874da058c68fbd6868f75b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rS/uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "INOCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TaNJPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OiCJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hXcJPw9iRz45KIG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AODdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "kikzP3qypDy4qKQ9373jvmJm+r6z5oM/5NE9vvQ+lz+O70S+6qygv4lVOj8zSgc/vCEZwB/9jD8nmis/LVklvgoNx75/hwVAQN5nP/akWb+OtpS/LQwBQC4gyT4QHD8/JKE0vaihAUDx3Tq/xuV/vcSpmb9YXMS/NbfsP539hj873Mw/FRsiQCBOAb+Vk4w/XKh8v9TP4L9GdEM/eTj5v5E/1b9fHT8/y/QqQEDuZT97kAE9WCG/P8TI3b9temS/G2nRP22nI74IyArA/16CP5j9xz6xNCrA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f285c1cf49c08bf2e72eac237c31f364
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZazZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "M+Bsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/yWpuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "A5dnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/B2avnUCCr8PC6U+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOjdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "+IIcP+GE471yK7e9i5Qcv64kZD+mqdi+ESLNvpA3dr9MoTI/CmvEvw/Ax73yT5Y+z7+Evz3bhL1F/tg/RhYkwL2YsL6V/os943jCvm46AsADjVQ/0NpHv1HSfj/iar+/YH8MvwWeCkBRJxM+mfw5vx/wAUDzK4s/C3/VvyQrIL9K5hBA+zyJPwi2S792Lay/34feP6vHCD8aRgw/H7a1P/wKqT8aQI0/HsDnP+9kVL4E9vO/qZkOQOUt2L06EpU/LyojPwfH97+r49m/+fGGP/YVDsDSzyXA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 775e2aa01317165474ab6acf7e34e731
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NQnJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Jo9nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "i96pOg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4+Jovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kNpEPhQ/Rj2Agou9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APjdRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "M7F/P8zNcz6bLGy+2K2gPXHCMD6UDrq/3JLhPviNOL9LKj8/9HrMPuJYNj8kaIo/iypNv+Rsb7/ldp+/oshwv6Nkir8hDzY+YnwdQPIjCT8Sq9a+H7d9v3iQiD9jTIQ/WKbmv6+MhT1bZzA/ZXn6vh9cjT9ZvMq/65SCP35Dsb8Uf7A/cdMlP+aVVrxnlRfACKmgv6OJBUCBgaQ/8JcmQJDtwj/uAF+/SGamv2PWBcAAv78+wC04wJYU1z3J7hY/3Ds7QNatUr7M5om/w48+QJBmBz+Iwwo/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d967ee182a9972b206449b994a4c804c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wIbAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "U697vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nzyMPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0eagvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6sqHPoSeLb+0dlu9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "PRnkPjRbgb7FgXc+VnhXv/YofL9okSE/9bjPvzesgT65UMA9zOCfvjxKiT92ifE9f9f7v6xxrz3bcW+/lv51v74viL82sNs/Jli6P8yXO79wYz+/A3/uP6Bm+L5XAzA/XqCwPyLH4r+ARom/w6PrP7UoLD5odt+/hsWEv4aN+r+mpC4+KUuEvt4g1j+77oM/Pqeuvb0d2T9cXD+/tt8yQNZV2j0bDe6/EkUpwO8hTT8bzmQ/2XNbwGvlfj4K7k8/Gm4FQJhQq78SEqk/+vMdQPLZyj6W/2A/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7d162dfe1ac0a7814d61b7c7ddaaa81d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O/vIww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+aJtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "t7WFvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Hsgqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Wp7HPVLyWr/9pEo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "yjg1P45UHb9aQDO+bk03v/ShUb/DFgY/2ka3P6p7o79C5qE+HPIqP7JDar9vq9e/hr8avvcyrb5dAAjA7Z1kP5YrTj8acyw+eg7Rv0T6Xj5OOek9QPzaPgPm/L9pl+m//LeTv0kyhj9Okpo/EuVHPlnk0D9Z/j8/aS3yP23EHb8IzRrAYUsrQMK4kL/GxgHAdXRJv1RghL7+dPs/LKnLPYiTh77NNyZA5tb0v/Cu3j9N0Mg/8ZHTv/jZKr+0UB9A/ZsHQKAFvT6bJBTAoGCNv1OO6L8hGpw+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d6d154838166cfb1f4fdb687c191057b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2PStww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UiZ1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/8ygPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "acaivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Onrcvnkjs75Qx4O+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABjeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "qLskP6I4O71DmJq9q0ohv+PLNb9eLRQ/VV+Kvj9LSj/lDXe/9u7Av7XgGD7e3qO+07lwPwDbJD91MJU/qwImvh7MSDwpwOw//yxcv8VMPT/iChJAmEruP712Or+z7SO/6PbPPyWIob+nR8i/nAkSQPvet7/EcaE9YqaWv3po2b1khOG/xMEbwPYAID/yLpO8/9VRvyRV5L/0wiI/6PtIPjsIJ7+WSylAIIzBvQbj6T9n3Zy/bEwoQKVBojx2NF2/C9xYv3SPi7+ejgXAd4fnv7jhzT4I3h7A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 42e4190083de21e612f7a0b76c9e3e56
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Mo8FxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Mjh6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uTYUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hCpVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "29wQv5ij1z6zJEg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "VPdqPxJMMr7kbYA9ZyFyvpb4gr+u/xi/bxtRvZ+DhD/XuY69EjJ/Pi1P2r7KHbk/kX/9Py5XLL5onTe+iMRzvw4sFL5egOo+/nABwNy/zL2Qyis/F2zfvvmrRb+K49G/v8Wnvoew0z/oDre/INhQPrf/B0AsqU0/VHgiv28gIUBV34g/a4mTPcm7oj/FDSDArCWhvqbeGcC8Jcy+us/VPvY0vT4bAQtAaKjVPnt217+k7wFANFMpPoNYNcD2eI6/3KdiPlcUzb/c6D1AuNZtv9SwJUCtMKy/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 72601100d00a21314fe988e84f402745
username: gastegger
key_value_pairs: {}
data:
  {"energy": "y7fZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bjJKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SWhLPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8+hWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4JyRviodiD9H5pG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACjeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Cy+NPzNYWr7k+hq/laMOOh1lcb+ZzoK/Vguov3H2YL5tBlO/ti5HPmyZBcAVn8a/QWiBPwxNXT/aEI0+0koxvxcSIMBCjeq/vfuzvy1p9D5Y/As/CJr9P51SNr9lAyS/ToIlvjoZoj8VMkw/SrgQQE/+tD+FCBE/8UhKvmt7CEDuELk/BgzKvyVK874FeM0/GNY0QBIszD//2IK+LggNQP0wD0ADDpM/L0YcwJA8ZL/r0L8/gVURwIAJlD8YBQY/ZhCzv61fDD9ePs2/6bAIwGMybb9O03a/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7c8b8990559fa8f25d8ec28ad54488bc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HSPHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "J95hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0h3Euw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OL1bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uK9jP6Uskz9vZG4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "kWlwP1nNPr47DCC+yAZnPr8vST/AER4/B4OxPppRmL+p7GK/fS/3P7Uojb6FIP47zpiUv9m+ir87I4e/TLJxP17GCsBxCrq/fkefv708MD8S0vU+tv/xv+An/b0uiHu+8R/6P3T1CMAyfqW/0E+vv0OnXL90/AbAleLnvyRxtD8wkYk/lz9SP+zwCkDkc0w/WhVIP3vpmz8bIvs/Wq3Kv9f+BMCSamK/fAHbPzOSQD9HZBFAjVDjPydhFkC43qE+YoCuPSezsz8DaTFAI2YbPqyGQUDEpks/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5e0380397c88b78c8da2334cecd9cd18
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DC7uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VDeHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GCWIvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HFxKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Vrciv/t5070U7Yq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADjeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "RlLCPuZwdry9htM9dhw3v059Vzx1NVS/UJHDvyBMIL8iKOy+cR4FPp5nIzzMHbY/0uh2vxDhGz1mjgRAxkuzP37ZBryhiQ9AY/aavzvetz8YoIa/HJYgQLBxAb0GleM/JlUkvlMtIL/SSQbAqvXSv+AP7j+FVBS+pH+JPq1Wzb9Z6+u/pQ6YP7hjDTsIDlVAn17lv7kUUz2L9bw/UzwmPyjveDs+qx/A4uyev6Y0Pb+mc0DAqTlpv+j8i79bkHXAFDDCvkfSBEA4cq6/OMP7v5Gztz88cuu/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 340079508e34e3071d2bebf3148446fe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LJXbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wk9svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ho5dPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "stmRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "h4rxvuZcSr5g6pc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "4AEiP1WheD1PyMK+TGUZv5doXD7DmqO/+ofYPZ5ui7+quxA/pbusPhhThD8tsE0/OOLtP1ExF706r4K/P6ocQM6oBr8sZd2+nv9avyclez3DEYU/06i3vnZe+b+8yJQ9PImGP5wGz7/ZfLs/vMjWv4E2VT46H4K+9dWzvy1qtz9ET4W/hoYlvxdPn77tUw7ABD2mP/Rycb9ovwZAPrzyPaC6BECrtBM/IGmMP2O1eD8oDss/I7sGwJEBwD8QeOO/yHYnwJ5Lo74UksC+aDyxv9YeGTwXvf4/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b37ca3a5aa127ad29165484ade21765c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5Rfkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aw11vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zJYsvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uOdJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YTKVvwrcGr4/xsw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEjeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "AUl8P4cmbD5tbFM8YZCGvceoML+/Pwi/2RwPP0JqrD+ELVM/KRZvP4Aej78CEQM/Q828v+KX1L5kp0u+X5/tv9eaJD8lDQc/4kRkv7e9zj/PXYk/zNb5PK6Knz/BlgtAPgMOwIJkir+PbSC/3L5OPu11lb+hxfe/iImevywkKUAcp5E/tfULPw0tqb8y9MA/+xfgPzVV4L9cXzg+1lM6wINkVD8xuDM/xH8yv0QpnL+LoyXAZwalP0Grvr/51xXA/FYEviN/jj5/xBxA0d6cP+9NDECUby8/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cb0449d3b1586a316a505bedd20f81e9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OY3Aww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rtRzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KxKTvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aXJhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cVWBP1ExTr1pAH+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "AbRiPy6hgL7s3gq+Vwf3voG+hz7+uju/GYqVv0bFxb7zc/M+hkPTPS5ik79KQ10/hUjsP7Aabr/ekIy/+UYQwFcYiL5uwHc/0EnFP6NCPj9/giM/w2n5Pyh3sD+bbiA9QK48v7xQpr6Z28+/9RStPwhk3r8nxNK/pP7TPh6zib/OMfQ/nD81vwGa3z//QXy/UtO9vvOZFUAkEgW+jq01voDdBUCFfvC/jQPjv17J+D+KrZC/s6l7PdoSDcDaGRI/o7gOQOBQW74b2uq/p7UsQJd9rL8pIw6/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8cd61d4637a317255a8247d2020a7ca5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "V5Tbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7Qxzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "G50zPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GvqPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gy88v5jdk79tyhU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "izxVPzFp5D2LJR++1kEVvpyXhD+LtBo/ZFhRvyKKfb5UgpY/RcOSPvQHk7+SaAc/vI9bv6+J678h8Hq+Lel4v5LD8T9YRQK+i/3lv8+7Qr9OOjc+0ao+v1wQ+L9eNaq/uYyzP2helD4qmL6/16KNv8SdNMCeVDE+8x6Pv2QEjr7xVw5AkX8NQNXrzD412Zy+ug0rwIk1i7+8FxE/IVfOv6GRpT9tng2/xqKbPyeTnD/5CQHAVguAP1np4L/UV4o/sP7NP7DFE79FVgfANfjDPppwzz9RmK4/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 44a1b63843d032f75c90d67b65cf0771
username: gastegger
key_value_pairs: {}
data:
  {"energy": "C6j2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BDuGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OgSOOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FXOIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DkqQP3rkH797SeO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGjeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "U/dsPyIUhL4miIC+wh+fvmK5/r5FwBo/5f0nP7vLxr5Uf86/8LO9P+gBvr9qpgQ/lhbfPzqhJr1qDh3ANi7Uv+JMGL/Vvxg+aoUEQOr6fT/DfBHAD8Devzw+c74jLE2/LS6ovzoJ9D5idZA/WBmUPgQKw78TNa0/LVomQPaqNr/I5RPATVu5PzqeLj/3IAK9fyayP/y6Bb5s4V7AH+rIPx+hGMDl7ce98M2bvxt77D/C4zQ/ekCPv/5gPECsPrE+K6AYQPmMqr/9ro4/OHXev6xYoz7RXgdA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fc7bef6bd3d40d096f5145620ffc4ccd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PBXkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Szpqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NpQavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PpVDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kUTvvjAv8D6bOMm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "HEsxP5pHSj1gu4Q+hFA4vnawkT/HZUQ/vtdHOwRBZb/DfkO/g0QVv4gdwz7awrW/paCuPskmpD/waxC/96P3P3Xkdb6DqH8/2d4jQJMuor8j2l4/pf3QvxIJZT/yex8/pLcQQOnOEj8MCtc/VxDuv6mmBz6Wzhu/Zq5xP66XCEBl4lq/fRUCwBZBuT7Ne74/1BW1v2pCpb/fgry+WsYzP+wmyb95jKC/g7UGwAaq8D8H1A8/+gM4v/NqCz9mFR/AMSzMv/ei1L+dZiU/H6zyv7o7+78hxYq/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fbf485d45a8ce08aee9fb68f961de5b6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "XJbbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OnR6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6gmLPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mPyfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IqsbPvLSqT8Cmti+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "J6t+P2AvqTxRjW8/HJK7PssjFz5576++r28sP5v9kD/M2eE/Rw9Lv7zmjD/S+vC9Amv+vO8GnL8/TVW/v6oav5qR2j8ecpk/5AzPv7yoNz/8Kn0/+A14P2upB8CXp7W/Tdikv/Mfyz/FEHS/8FTuPyjZ0b8UxsC/kl27PxQ78z9/j94/+m9xv54bLUCFZLs//7tBv8hG27/b6UW+cBoTvc09v7/ZrBLALwoTP1sHRT/0rTJAwK2MPktfMr9ppj3AZZCHP+l6HD9374i/XdJEv4UyC8CUny3A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 22624aff4ba70e0a7e9ff101ffdde9fb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "g68DxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3/58vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+1jBvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wNNkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "w7aVPscphj+/YJ8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Po+LP7iLYj7EgGc9F9Y/vvkFVD8VdSc/3iowv8mYtz8WFtu9pMuXv3v7or5S8ns/JgTbv+Kwcr7RLA5AWKaJP0SmWr5tZaG/aa22v1mSCD+VwDNAIKG6v1jflr9eWSY+kEi3PZyt1D/XCOk/FN16P+LsrD/gUg1AITE5PaiPfr6FOQzA1dxqvxtd6T1/Iui/QmMYwCDkbL+WSCFAAPhlPq44KL9EDFTApqz4P6KnGL99TM+/dqVjPvUOKECVxsQ/DisHQMyUKD4OhFE/dOo6QAx1h74Ay7w+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ecb9c8fe8bfcdca02d5078da775ad18d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NpPbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XitRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KZhxPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tMiGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5bhDPwDjqb4K3HK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJjeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ATXYPuCw2715gs89uE9hv0+PYb+wueM+YcjFv9SHVb58QFC/wjXWvx8PjDw26qk/rstXv69V+L8lgDM/M4X7vkaAXz8E/Ca/Et3mv2TwZD9d3yA+5UCQP4g5sT5MrZ0/etgFwFM2GL/8i9S/b3UgwEeV2z+9Zdk95DKNv2iA0z7Q9ARAbTNfvr2U1D8O1qu/9coBQP9+AT9UWms/+1OvP6uOZL+QKEy/yfVgP+21mr+y1ty/e53bP/0q5L+3MIK+4VIeQDXzRryERoa/I5JIQEwp775iSMq/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 97f5d02fe0d65353a2450d6b0cd59cfe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GDDuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2nSEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KbJWug==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gQmEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "K/Ynv41Fc76skIY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "dEwTP08Tez3jjmK+Sr58vvZJU79A2Fa/+AS9vaoKeD+RnUY/SJOev+UsJb+GMkm/P8WcPsJB2b+0ue6/15uJP3xlFMDy3rG/lyfDvxOVdD901FA/WfDjP2/s+D0tY9y+zYlQv+HJ1D67Afg/kSf+vse+FcDRyw7A4R1fv7reK78/GQBAhMRTPzN8gL8C1T3Aio/CPsTb+D9ial4/+9zLP6KCBL/VWyjAmSRtv0FylD8aUE9A/nJcv305D0Cp9URABNP9vXYTWz+bxHpAqM7wv/S+cD9gcm5A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 490355e27b389fbbcd518af305af2775
username: gastegger
key_value_pairs: {}
data:
  {"energy": "P672ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "D2OCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lUc3vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OfRWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "A1vdv+kOYr7ud+i+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "wo+ZP11Zaz6Wn74+aVwOP1dBgD/YlAq/pB4EP2jFgb+7E2U/PVtRv/vZVD+ZDE6/BE87v/G2qr/xpu0+yHe8vx3w0L6cmZa+4daSP3qG4L+IV9o/Gn4XQLFZEj+QHDY/vb7Dv44lCkAKfk6/JjGZv4VMib6i3+K/wka4v2lVKUArFiw+K0EuQHRW+b3vaa8/cI6Lv7U4NEAh8Me/3krCvj7CXL8amwrABLglwGzMAUC10YS/ifsBwOL78L2zqBzAajoVP6TgI8Bg3Pw/g7AfwGI2uL6C4oE9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1c28229a6ce89371b27bedfeec0bd5ff
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xhTkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0uGBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tHMavA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aRx6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "voervyTRk7/61aw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALjeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "0weIP9BdRz58PoO+xKedvdguHD/mUzM/p9iUPZTICb4F3rG/rqWGvxh1Yj6gZNu+TR5qP+vTlr9Lskq/K+gyv6R88r4Jhs8/J2gPQP9Cej9q0u6+P0Dfvx+ibD8kumO/i4hMQAhnzz+kIRe/es3Xv8YRYL8rq/g+0aTTOzND0D9txIk/+YL9PmgQ+78HSy6+mxLYP4gEwr+Jnry//7jLv++C878fs+E9lXL5vJdjoL8eE/8/S4Gfv+JxNr1GlB1AcbBAwHDLGL9sIGE/inVmwC+HTr+7yRY+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5039e1a3bbc63e76bdb6b687f9cf6f69
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rBHkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gv5ivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "INCZOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "A81nvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BYtTP2iuAz9eY5c+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "fzRCP9lkhb1pUCS+K6EJv7mnOr8QI7y+ILg0PwdQkD+DNSY/fO7Rv2WN2L7K4SM+nfFVvl2asL8zbsa/ZtmEP6n1Gb+YMsi/Dw/0PxTBgb9Vg9i+rtQdv4H25z/qr6c+uK6vvyGVMz+RRY4/DR3yP/GWAsC6Q4q9sv83QC9vBb9Cy8q+ppZXv+Vu9j+3Izy/7k8JvY2cFj8GZvE/WKohv6oxMkCF8lI/iDCpP4OlFr7XMiDAp3WXPl35yr53Sg5AQRoSwBLCcD95jtQ/+NRKPQ7Ppz+u0yxA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3c6eab451df27a42387874f5bc6f5f9a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3twIxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RQ9svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4SkEvg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yMrPvQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "V88JP3kjEz8RjW48", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "YymUPgoKEz8LGUM+YvUKv8OMHb8WYGM+T7qFvfji2T/ccoy+hmLkv5Fx/b5TMRk+w6m8v1Tf6z+nsyK/RsHaP8PooT4KYiE/l98VwFPjWT+PLqU9mpBawLTFhz9wAhQ/qEXIv/sg2z8Js9y/7hbbP2imrb1qk9M/H+nnvxXiNkCe9tK+6wAQQE28oT9aQx4/A5kXQEa9EL9VsIS+vjYXQJXw8r8Y4jY9SEXyP6MKCsDpXX0/U+45QHxlM8BUr0K/ybM5QFgfdsDqTfO+dslWQGS1IcAQS9q/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7b452fed597aacb7d9f3922827b140ca
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qpD4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dclovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "k8QSvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LJ1fvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nkFjPzpdNr9oke28", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANjeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "gabnPpUww7zIXMM+eEU7v4t7G7+hSmI/XrC1Pg0Eoz+Zkte7Yyokv/X89z+y7oc9gYfaP6aK3D+XAwi/7aj8P2pzhj91Sa6/aH4cQBDUxT+3X4g+20Wev7rr/DxlZM0/nJrTv5+/ur/RwjU9zSFIv1kwBcDKCpQ/MXPLvasFN8DOSio9P/LPPyF4RECywGq/xelbv3GsFMDAmWu/H9pSv3GtFcC7JgDAl2kuwN+3p7+pRn89dUEfQKPqVUBxm56/YZ6Pv8AkHsAB4wZAPEZKP4OFXsBJtDQ9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 69628abab685d1ecceba54997c449eb7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Yqn2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "t896vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "axERvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XItWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "h21jP5Hyg78xlMM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AODeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "k+2+PxBHU7xNNrK+F6PwPs09/75Ja7G/pFNAP7f+c7+s3TA/TWiaPeal078kYgS/mR3UPxJ1uD/Zdw289WSMvo9Lh76rsa0/lYgeQBXf475gXQ+/FRtmv3qYI78nwV2/3gFrP0OeFEASisG+Z9UUP5An5L5RlB3AbGWuP4jNwL8tWrM/fzciQEXg1T/PDSM/zG+gvxvH/D0ybas+CvWsvcQwLcC1dTa/KAOTvx2dmD+oRxI+6awlwMEzJ75eYDw/KKwrwDiYkr+GcHo/xDc1wJyrwz64Hcc/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6ef9a6ee4d92d2b2a4f42202b3fd77b1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xZfbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Silovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GED4Og==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yhlqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IGPuvXo2C78LQQY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APDeRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "AptWP6uUM76gjuC93P3UvjY8Ir7Xj4O/AFd7vzpUqb9Vd0W+UGEJvvuD/74F4wHAfDqXv1dmgD9WTZi//xaiPqMYqr8Ury4/eoGEv+9cc78G1Z4/3oW4v4tboz86KJm+x1P4P8sE3T40iSy9lj1kP8T/CcAI+ok/6v0LQBvcwj/S5Xm/0Dqtv9adwD4YWcw/bmw7v9+fKz97ZRFA2pmpPwy25T+JRcy/t2zDv03PCsBdbxe/uLy8vxFM2b+LMvM/7GMgQHXRGUBs1tG+/6xBQOrUnz84FtC/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9c5a690a327caa9118b63a31f1cd887d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uCTHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gxVnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ak3zuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GHtfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DcMfP/xv2T/wFmi+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "4+AOPziS9jqef0U9dzASv2HhU7/eSEq+BDnKv/wFkLp3GH2/lYJCvx7BAcCknx8+pd2Av0Cssz8BVIa/VJ21Pl8trT+XptW+y1VIPSxdGMAHjCs/qwtAv7XICEAtjX4+IY+cPxVF7D9dsFa/2/4jwPQ6dr1ZxwO/BB3XvyHZ2r7g2v6/6CvWP7IfsL4NFEY/HVmVv1EA/z891/i/7UyVv8Fh3j+edpU/TBoXQOU8AD+mV2Q/DDnwPyoVwr9SlJ4/8PcwQAyMxr/awd0/1ZYyv5oKTkBSHVE+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 552f7557b94b888470b7117bc258076e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QJTbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Eadzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "z6OCPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fHyavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DmcWP/dYOj6KH0M+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABDfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Lt6MP+suGb5s85m9DQvivRIAJL8zgkw/kkSAvxCdMr+qreu+VmQ6Pvc1C76BUKm/Yk5ivHQdXj8ZLt2/OMftvf7zvL/+McA/SY8sP2bdgb9n3hPA+7iZv6hS3b8lf0W/doANwCGyzjoTIM2+VkCAP3AGkz93RjI/eRAEQIpbJb+LcUu+nSQFwOJTND8unIE+kIKePBtnib8+80DAeXmHvvv7ND95DLg/rQV/P6LlcD/tBApAaOfBP6Q2uD2R6SVAXFCKPykECUDioYU+FbN3P/DB6T89IzJA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ab9ac137d955f1e4c66a3bf4282873a1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "E5v4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mdOFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zChWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/xxWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7kK3P6n2Mb9kWFU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACDfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "QcaePyHk0D2azp49H14pPglStL4ZzY0/rWmXPnNo3L6loYO/6qc3vzX7fb/vS8Q7K7DOPyruyT/3L9A805ddv3kUKT/Ppqw/zAS0PjcY7b5SGw7AL2zuPk1YWL8B5gFAoq7bv6D6uz0ErNk+xH0eQPQMT7/tRBE+7TENQKkL779WfVY+2500wGfu1j5PVRk+9FVFQHmCDr+iJ4I/HkSIv/E4AcBW9Je9sohFQBktLb/TTEG/UQY7P3fPDUCjyZU9zV0RQIFN6z8Kg1w/hWQJQM1/5T8rwme/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b47978434115f57fe72ab806baa9388b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "byLHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7WF/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/pqsPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pnqKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gJ/Nv2iRLT+x+Wi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACjfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "9zyfPoChFD3mFNg+1SOHv6LLFL/XRPI+u9mfvZ/vhb8vdAO/EOn/PuqprT+bYae+6pWavzZDqr/QQ6A/RIqhP21ejr5Y4ro/PYpzvQF/jD8DP9+/B+sAQOqa+r69CxRA2K60u7TlC0BiqDI+zXkmvm6r4r5KC+6/qBsMwEf0UD4UnaM9WoEdwHJWVz8sWlI/7InIP9DIyz+mprG+Vz6Lv9QHQ79aIhbA8S4/wI3Ayb5kHtu9EYyFv9ugxj/Ae+y/hy4YP6vHwT9y7iDA4AosP6UpW78tphvA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dc081665570b5d0a8ea82a5f01859bd2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zSTHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UMdjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lZnSuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gzJdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "w/WovTl/sz4BTRy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADjfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "OBJCP0EzDj7Cfhm+hNafviWjRD/Dxku/6Z6xPlE6W79pSV0/HAfPv9KEOz+bFKO+cz3BvTgruz9UCL+/24KQv+k0Xb9uLKM/73IPv3x2AMA66/Y+xUQDwEpd1DxERiU/296NP7fXhb9SIM4/vvn+PydSxT7Qdrm+Frytv5/Qhr8jWBRA2jpev2MZBsAuuA2/xsTKvjjNPMDpeX0/5f0SwK7tsj+vZFm//gAWQMTotD+Zi6m/h5kCQKeLkz8reBbA/2LzPxY9GUC3Eou/FWdbQIVXxT85vaq/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 843bf85d05b955dbed5ea6ecad4a5aeb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z5jCww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5extvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mUlUPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fzF7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DeDdPjT0Fz8Wam2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEDfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAkAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "xquUPjl4ej0ov8O+xTRPv8uLfz8k01C/6M58Pm/Eo7/tyoS/r31FP/9Aoz0NVH8/AjLOP4QTMD90QYi8KPTWP+9R4z+ofzK9NSNXv+hIiD+Pg/S/WMQsvyx7AEAGbNW+kpwhvfdior+xoAXAG9ohQA9dJT679IW+6hH8PXifbj8uLv4/mulev2F0CD9L7wxA8a5tPD7H/T9H0tY/d6UJPzGAG8BgKeG+OlQCwKBVBT9w8sG+BJFRP+f/HMDHZxs/M6oAPza0V8B9Jnq/AJA3P4LraT811zlA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ffcd84a945847ebd05c1a02469569c08
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ypvbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "umtJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aRzqPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "R69mvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5zptPtE/QT5J9DI9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEjfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "DE+PPwyF1r60jyw9Tp69PLiHy75KMYo/E1CjvyPhEr/VQBQ/el4mPsbZnr9iceI/TFwjPqV+Uz/UTuU/ybRZP/QfR74bB6C/J+nMv7zlN70hJC6/WgwDvxciVD+p/h5AZaUXQA2WQb+RtRM/XpwjQKMukL5X9rk/TrAEv7i/8D3G8tq/pqeevwOAqz+4oY+/PhwpvzD7+T+LjuK+G5lIQG/FGb/sXIm9kvj5v32c7z+8Fd+/4dQjwARp5b5F93u/jdBAv1PTE75LMi/AgRfTP9DyYb4zSf6/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 735330a4ed232075a7546d82fd721458
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jxjTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7+Fyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "t5uAPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5ZeZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TBqjvvryoj4z4Rc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFDfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "alHKPoJ+JT0VcGM8aQtuv2jm+r5t5hm/PzrYv0EzBz8aLZU+cT+Nv4UQwr8f5Ie+RpuOv3Ie/76bTP+/mIbWvhTbGD+cBpg/Uh15v97Fyj6ksRTAzZ5FP2krYj8wpRe/4CzqvvsuF75NFf8/J/jpv4+6vT/lsGi+F7a1P49HWb/kKbE+Kb0KQGKoo78Ufka/kZIowH8mYD4Baj0/XoDEP8mA4r/8ZsO/P6fCPJXJ7D/vXNM/18grQEiJ3r4a9KC/Au/xvj0hBUBsVhxAf3A6QJal/r/ZEtS+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 73dd4677ef9316f8c83825703939e4a5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tAjJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H4VLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tva+PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9mNjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "L24DPiDSH79uaZW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGDfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "0S0jP+hbM77j4Bi+b64iv0bDRT7Hqlq/E4JTPkx0E7/iXp4/CpnjP3HsYr+FM1m/CHrav9llDrwKwm29rLkYv9mrRj+gBwfA4Jv4P6sECj9QbNC+N4nXP/a/jL+5SPS/btf3P86dqD8Vv5S/j6jMPe6wzz5JdC/AgDG/v54eXj8XHiTAeCuhvxDO8b5VkaM//CIvwJB3Sj4sfaO+S8XPvtFU7T4mKgBAhBHxv0PSi7+07vQ/J+VJP/77pr+LBuY/M6IkQGPoPz/8/+U+7pASQBoJ1b8QW5W+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c00ca8cc89ba97dd96706a27df5612fb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HZzbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DjJ5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fcscPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Y3+Bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eQbNPTv8iT84Z3y/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHjfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Zt1mP/jiEr2Cz20+J6/4vhcSiD4kUSs/Tx43v2h7fD+WFCy/ke85P6GkJD+vmIW/PsLMP0jFkb9/eBU/Mb3Xvhal9jw3jua/+76nP8Xp6r/ZBsY/87nAPxB3oT/9Uby/TL8eQDAtqr8WYG69vLjvvtGTdj+GbMI/MaW+v+fEEEBYflG/ckKbvy84P0B+CEC9UyskwMDQBEB4/Du/1I6nv6dALkC0leW/INAiv3qRg79+rti/MEsYv4Ij4T66pTLALoGkv0ePV799Lmo/vhJFv5petr/3i78/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7662421e65427741230384c411d475e2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "04/4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "P4t1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eQMMvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YYpSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ur2YPwWjCj9DVje9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIjfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "6chuP9siaL4vF/Q9RjvdvsFhQb4JMCm/KCu/PmiUlb/1JYs/4+4IPyvflD9cmzk/Ub4TQEATE7+88rK+23ppv/waP787ISs/fglov9/jPj/1Cfc+0nhxv/lfsr4UKQHAxtnmv+qxrD/f8u8+ADLkv6WirL+IF2M/F541vnVwGr9+ITLALjoHwEP1br7hRxTA5i5SP2ZL+z/fw/g8OkxgP0ryuT+zOwNAcNfbPzmZ9T8cPARA9IgVQBMnyr8+Gke/J74pQAI7Dz7ELY2/VgxAQGWlC7+RCf8+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3d17fb44abce33ef8bd3c47292d6c849
username: gastegger
key_value_pairs: {}
data:
  {"energy": "15L4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6UmBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vceZOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CLGDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Wg21P0eP7z5cOFC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJDfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "KmfTP9NDXbvt8YQ9PXBNPxZnab8RXHM/sszkvgtXpL+ExuA+RsaCP456Bz9+saw/753Bv38KlL+6bqM/hredv9HoR79RkhFAShqPPw9L+T41sZW/DRQuQHK8Rr6nWq09iOmoP/Cy2b+Fmr4/QIknwHPruL8Bi24/omojP1uZcz/KJAvAb48RvR3UtT+55aI/as/WP5TDOj8VKwxAilRDvnEr0D85U60+QmOQPS4KvD/eTFrAaPl+v1rjnT9Rs17Att05Pt2RI0D9sV7ALMYQPz9kgz9f/ojA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3063aa8e8aef7b018624a1c3b1853117
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UAzJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3shMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "w4ClvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xhg4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Z+12Pq9aKT8lI+e+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJjfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "JlyrPwS1sr3Nx7S9pC0JP3Zhrr4O5qS/qO7/PmBK17797pY/FRZCvmD5cj/UdII/+CGSP/9lsj9av6s+bjyHP938BkAgBvi+AQ+jvzgiUj/lCJi9Em/6PneWpb9Ypf8/I9IVQOmQ/r7++lS+EexZv4mbEL6DB5e/PJIMv4rUuz8oVvQ/rV5IP6ijmL+w1uK/5n0NwK9R7D7f47Y+79zev1P0Ob8Qhf6/fVC8v7dP6D/XDvy+ckm4v0xKtL+jpjHAUhUzwKDrBL+O2fG/c43yP7VA3D+hCYc/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 91721f4c2b0f9b6a0a165c7361c7ab27
username: gastegger
key_value_pairs: {}
data:
  {"energy": "bA/kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9WRevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QZscvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JT43vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jGcgv9I6qryNKI2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKDfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "8vUHP27z570OZs+990w4v3jF17wKk32/7BcSvl3Sjb+iT1A/xRBTPyn/ST/CV4o/mWugPwiZ5r4byra/3cBvvPBxer5JYQ/AEFMDQLpfgz4kPNW/ZrutvzQfhL/Yx0K9Cqoevf+gEr4wNvs/Ix0AwPjaqT5NLLe+YwE7PQ6AGz9rsTLA28oEwDDDlD8lma4++B3AP4VK4T8vXKI//6f1v+mN97+pZoW+HDV8v+ZTlT4CEhNAQyLQPy+1vL/DV7+/AAU5wKgsRj4DcHe/Xl36PidREL9yrTRA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2631ec80b5ceac088753d9f9a789e8d8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/5EFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1jl2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "R1hUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xCNBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CtxSPxSu1765pVU9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALjfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "5OgTP5+yLj4iL2Q+DOTOvp9AfD4VVIC/Pypwv55qwT/B2qi+VM2Pv05eE78YkWS/xsHKvkPViD/KcIY/0+arvzxsnD48+eA/FNxgPUHk7T+Cr9Q/ufbCP08+Lj/Y7CI7EGlmv1aXAr9V2gFAig9JP5+Gib+FKFc/7H17PXNtoj4x7RPAl7lRPU5Unz+hKiXAzlqlvy22I0A800u/j7y0PwgcAsAmBa89KJDQP8J93r+T/W+/qbnbP49nTsC14RQ/i0u+P5V3X8Cpis0/Uy4NQD5XfcAaNTS9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7c5f081f2d48298841019a9b92472f54
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OZfbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xeVovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RQ/8vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3GNJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "J4iKPyvB8r64zEG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMDfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "WrohP1efVz7wNU2+3Lw6v0a4OD/P3De/lUvRPlZSiD9AEoY/M+BBv4q62j86a78+W7MhPvVQ8T6wc/c/9F+hP4/vkb8a7Ia+jmrPv9cI0j+iJGg/K3uaP19O4j979KY/49P1P8QtCD2s6HO/6Jfpv8g5o77CqCy/9uPjv2Tbir9pj72/7UNNPzSy8r88qma/0+fiP52vzr+rVnI/PrYswOKKrb71niE+JPvzPyQijT3lZQLAswA0QJLS4j6tWvq+N/ckQLIaB8CIgEM/F9c1v62vkz9rf92/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b72648ccf0d264054a24bc829012bdb5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3A+sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AFNGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "whIPPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sBdqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9OAev51otz73WLo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANDfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "GNe+P5jAjj7lRqm+jtswP4YdVT0MBWA/f3haP23eab0dk82/n36EPwsTuD9j79U+Cqo1v0+z375FYz0//H+svy/9yr7+JeG+ZSSfP1sLwr6WsNo/1mSdv9+Bgb+qSfQ/70h4v9BVBr/5azBAWrMOwEdvlL+8lPA/EZosv2VLCD4XgNa/gFFpv73lmD8FMOu/hwmGv/X1w77PYiTA8soXwL92QL/W/QO/caFdPrN/AkCkRe88kknoPxcTAEBQq2w/bE2LP40fjr9QVeW/XqysP6ISBz/ixhjA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bb617ff75c2cb66f4c8e5bc415339352
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vBjTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+aFyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3NYWPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2CuMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PUQrv9xoWD8T8tG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANjfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ZD7nPaormT7bioo+DTl6v061Db9zRLm+BsclvpEajL93JE0/fkAwvzqEmb8Wkt8/kNNLP87ZBMBHvhk/8eUuvkAjxz+1tIY/36qlP1yPvD4X7fy+M1YBwBhCnL7ZTTa+Iv8wv99Cir88B9G/FlKKPx2BRryAH66/eemOv85uBL+BhBLA/+uEvyPnrz+IONk/elLIP9dE0L9AImA+6QctP9Sn3z95hNw/ujnVvjaYMUD88SE+OrGlv7gnKEDidPW+SLnjPtoHPUAaFfu+5PgVv0Q3a0AjP0E/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2c445b634eea7112d01edbba83583646
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YQLJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "W9FWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0SKbPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YjGSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "clBCPXk7Aj4ZOQu9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AODfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "6GauP98lib7AvuU9/QkYP9DUtb+PoZ0+fNg5v7Ptsr9ZOUC+uDhMP56ReD8HKAC/KhygP5lhez/wvHU/0IMdv5I5jj+Z5s69kUi0vxNpjb0UDMW+zLFNvlEtnD+bSaw/K22Gv+0Ua78zf8q/3HMYQMsSBb893Cq+YLUov7wU9j74qwBA0aLLviV2DkBI0Nw/0VyivyLiD8Du3lU+GCeXPyZQvD8MFbG/wZ4HQDPeuj/zuLI/hohsvqk0Fr/3bA3ABC0dwJhlKz0S0PW91v/sv1L0tL8HjwfA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2dd129b96c50640f24f2a0d6ae38672b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4h3Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0NF6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WFREvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ioxuvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2xaFv4+lD73esK2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOjfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "5Wp8P9LNFbxOEQi+bQR5vgMzsb4m4C0/JxSyv0foGL+UVJq+pBFvv2lAST2j6My/h0ynvXESk7/GqPI/YbfnvlP0hT6j2QFA0bsFP1OfwT4ts7+/9xSpPqVJZD/VMRxAyTNnvx6B3r+u+wBASBACvyeTuD9kBMe/pGsWwGmlTb4cdkY96Pawv3A5ib7gWCLAM5oov1h+7D/9EyK/FZObP1bjsj4rQhXA/WTCv45r1r+lpOu+Afi7vy6lBT/OQBRAqKoKQIfCgb3P0qk++Bs2QOzdYj5F38G+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9bad0b623d9bb8c094649dda8cbed35a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sq/2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "S1tsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vJWlvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lKhXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pWavvouJ7b77IpE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APDfRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "JsuoP79OPb76Vrg+4wNBP9fokL+JY5o/q7YZP2XnQj9BM5u+qV33vhUJgb/EY7w/DKAwQCwCmb4UaFE+IgpQQM24LL4cCpY/5nBrv2SWNj/87dC9PJ6rv0hBlr2hFYM/l2xyvyUQ2r+JUApAZjOKPwGXzD9tNYa/Mm/KvxQThj6nkLC/r2xFQE+A8z6vn/m+nLIdwMluOb8ZyLy/kVcywBv8pL8WlBu/2lCcv0Ui3z9Q8/A9iqE5wG0afr92fhvAzbxAQKO4pL9zdkG+rzuivwO2VD9k+A/A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 36dac36d015e73ea4145816cad308af2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RC3uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pDlyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RwTjuQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ishxvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FvuLP1mjHj7G4dC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAjgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "txVUP8qssrzLuoo9GUVJvnsDVT5GrWy/gaq0PgjgXb4XhsI/VF2tvl8zeL+ETAhALXSGPyzAWz8zzP8/CfbGP3gET7+1DVq+AFLCP6KFnD86gig/ce2Jvxdcc78tyYm/XIW/Pl1dIj8ehwzA0KF5PyyixD/OggPAIli0v0L8n7+i8qS9MTuCP2ENDr4YISrAfFyKP0IMC0C27LE+4hcJvxrz5r9qEsS/iOUmQAtPoD8eyx8/+K7evlDtYD9IujjAzaQNwA0qIb/T2eu/iAQFwJmUbr8Bni/A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 736f0d60c4400970d3951af09ed2d9ed
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9Brkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "q7B5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pfNhvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wjNBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "x9cKQK0v0j7jiHU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABDgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "VXC0P5ipOj6bWCC8UCehPvHhFb0Mcn6/0Hdvv85E9T6/s6u+ZhZlP05clb/HYoG+JNhQP8cyYz+8gJs/5Coqvz5FcD/mCWU/pw7qPuH8Cj2xRgTAF6INwFrI2D5SfHO/F4HjP+02AsDwQ4O/WrcaQEfZ1z5J1ay+Tz1PwBLlvz6Isb6/sK6aP3qQ9T+6j6A/hlWAP21XeT7LjB1ARUj3Pw3vnj5eAC1AJTsXQAGCwL+BpOW/x7yWPxt1M8BRXcK/IlMeQN/PIcCrPK++sDiyv4EPpT+QsM4/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 63f565db695e68a2393c5740f0c85cd5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HQTkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "X2Bmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gcwOPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wAmFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YHYXP341hz+vfBY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADDgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "rD8iPzmvqj4JuFi+fr0Wv74lGL93Nb2+w7N0v+laUT2uSNO/9M8TviYanj8fhp+/8u/bPqRorj5f3RDAp670vpH1EEDScqG/f/WIv9bMRL0E6II/9fitPrgRFz92wKA/XMMEv1Kz17+O1L++vjTNP97Ok737P6q/vhkDwEMW2j77WJA/9rsMPw5LyT8ke9c/Waj7P/Utjb+gwam/ij7fPgp+7D79llXA8UVLv2O1g7+1QQJA5IgdPwrMEr9W4glAZqEbQDqDHz+aer6/w9ooPwfEcr7ffUdA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 17c9a0247c0a4976b8a960107f8061aa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rJX4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "j3KIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "R+axvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+vE3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UyIJv0EOur6p9vk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADjgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "5y4kP/VMuzw1RZa+E8qlvkdLQL7FcDo/UiA6P5o4oT8eqUm/MW/Av2Qogb9TyZo+7tmgPVcDDkDiseW+RoXlP4mTrz+iF/G/lZIdQO9r6z4dGRLA5ynVvuIOJz9MmbQ/1TTCvnG3zr82opQ/Q7bRPqEvE8D+QmA/ncvbvzytk78X2z+/z5ervysd4L/LGBZA+/EewEVukL+nabw/99mHv+sJm78BWFBAgb7uP8spGkCzIRHAju06wEgmQr5rquk/qo7Fv4qUMsCR2yZAmp1SwJMj67/aDqQ/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 96e90d028eb5d5dae50eb055d97da598
username: gastegger
key_value_pairs: {}
data:
  {"energy": "NCTuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uK1tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "b/ZHPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qtWPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Iv1uvyAkK74PCyW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEDgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "P2TcPoxPoj2hedY+8VkNv/L8iD9kMYc+tuF9Pla0fL8i0e6+HNjJv+bNNj+1SbM+G7c7vgsNG0DbvU8/UWRQvptYDEB3wC6/uXl8PxU+B0AzJ7S/xu2KPoHMMb9aN8K/CNJKPzChH0Db7qM/KF11v8+MQUCR36I/pIQLv7IIDMAmL229rkPIP6xHwD/8sW6/UTSOvye9EsCTY5o/rsNmP5rmDMDBvS29vvSnP3aJLsBSMk6/1Z6Hv68iMMDtvFa/Bph8v8r9KUD15qK/mZAAwAY7+b/MGZU/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fd3ca6646a6f78dbf402cbb33cb720ba
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/gXJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "beJEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "euDjPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fF5hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cjNcPsvbMb7pYH0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGDgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "gvhhPx2Nkr5aWh0+e/sAvUgXyr7592m/lOenPCFRkL9Bzok/l3nlPy7SLD8ya2E5iRPAP8SZqT9cda2/ZH0mQJkccz/C3ig/hogOPYWFXz/Kq9O/6t+HvyINdr/f2CW9Zc4uv2+Gyz8Pf52/zYbmv1/N47wJikc/+yZsv0c9cr7zifQ/P5vLP76LGkCh3Kq/1KELQJ4vdj8JyAjAhW/bv86j2r808/y+rF8AvwgQMj/tDRNArA4uvsf+Pj/G/y3ANLO4v/QqRr8MkC1Ae3HDPspqBMAUx70/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a4b0d9ccb3837c5b7d213ba77907b679
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2R+2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cThjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TmN7PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ogiRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fNX6PlVqpr6WCT89", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGjgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "3d9APpIDjT4EQnK9VitnP6igYD6RDGW/hEyQvzUXYz9RoBe/p3byv9/sSj+d+kA+PQyrO9dwkb/rcPw+Osh7v3Jo+z+pMD6/t7VJPx+Blz9kB4M/M8TVvwvMqT6ugOq/ndnWv9JlLr/+ueC/LL5Fv54Pj79IF6M/z7bhPZEGnz/eAPE/b9qEv2Y7Cj8aaSbAM4hjP2oRDUBuTyA/N4wBQBs3OD97acY/jQwrQAzYOT8Hm1Y/zGBwP/Pnu7/V0HY/99e7vszuAMAYsxG/090Bv+ccOcDNqk++", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 59872b796e549d38d93f69ca495ffa27
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gLD2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cGGFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "je21uw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uomCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "c4CoPwN4uz7Ie/W+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHDgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "FjCKP5iGUTyPKHc+1ZeAvRh+Nr9Xalg/toOev1+7Kr+jU+Q9n2thPyh8VT4B752/7DLfP5vgjD/KPok/p+irP+eloT9VLARAZbIQvEa6rL8zX/c/oLNrv7xC3r9wVwtAiG8dQPp9QL5vVk8/rAkEQM1x/z87ugw/3Nu8v/0rej4iYGK/eK7Mvn9/UD8Yiry/CBUrwFh9+T6a45e/rmwiQEvuZr+2WM8/LaduP6iuPr8oOuO/JsPOP81SZD8In9S/nBAtwN6JkD/88vy/pk1SQKrvPb5p/do9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e7a009c3c7025dda4edd11a599697496
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wpzbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kL55vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "b0gjvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dOxQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bt01PwCRRj9ZNAW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHjgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "8IXVPor5uD1DyfK7D151v9c08b5CXgS/w9bPv+oSYT7O+is/sW+LviXiBD8tpqs/0H2Av1rmx795jtq+73elv8MEMr5apsG/mwKAP3C/nT/nNS+/J2+QvfHJJ76+8wpAACowwAZ5AD/finM/NSy2vZyxxT8G59U/x7e+Pw2Udb/BsWM+u1QgQBEGB7+e8Lg+pDSkPwBGCcAFG5U+qgzPPp4CA0BQOha/OQqrP+q+gT8KpwXAadz3PpS2Nz9ZGi7AKwYGQN0ZaT5DswrA3h/iP/nk9j9KECDA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 87ef4fd66117e5400f0469b673c7b431
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ks30ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "E4Bvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HEC/vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EJhXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MNgTQJeLWD9AGNi+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "OACNPwggAT4MYNm8SCJPPrH/U7+4E/2+YZ+Cv07wXr8g0zO+lEwPP/+Lhz/kt1A/pBLEvzyG3z3zpzU/uJEpv5ycjT8Hr5c/bOQwwDJLKz2th4M/7wFfP5ND5L8JObe/HSrgPxXQDMC+x22/KkXBP9Rx9j9p+Z8/+i4XQEIBAEBDUTg/aGSWP2/rL0DoY9w/Cm8qPmYYJsAooc6/MbulP2EGj7/1EzDA7As+wEwYUD+9FdU/iG3/P0F+mL5FuyTAfyjaPm7cN79y/lHApkzkPzJj7L82rlnA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a2b9222d8cf5b3c0ee07afd812df2287
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VJQFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "opeBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pRKeOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7Q+Evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bw0kP4hoFD5/9pc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJDgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "j2oZPylf3T6SqMY+g4odv6x2jj+P6nM/67ABv95xzb4veYE/Mw+Yv+B9jr9mkY473TflviG0zz8ESfM/ANq+v2Cw3D+8O389wykIP1Er4D3u2Yu/CEa3PiZjez/Gs9y/ZjvnP55SMD/wDII/uRsrQM2S274l+pA/wtkYwHHstj9KGoI+i28nv+3iV7/aSp6/zdyNv+knqb+ozw7AeMfgvhFgbr9p8/k/StILQK/oob8iJ9M/UO63P+2ZyL4s5ri/z99BQKjTR79IkB8+Tg1iQKBRxr0h3ds/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1e6dc9b3c837e416ae52c433930467dc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wp/bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RwJtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lpgnvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "IhxDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pmEov5dWI7+C/82+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKDgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "P8ZlP9DOjr4i8489N8bNveYphr2tSZ0/WyM+Oweztr7hEZW/aWC/v870XL41ryI/X/uhv07CX78MuCO/JMixP62Nnr8z1JA+VdQXwNq4TL8AB8m/RRj9P0MNSD8Cz4Q97jUowPeadD5lHO2/LS89PsQxQT6ZmxdAjZ/FvX4RJj/IDM6/0lnIPr/Wgr87Pvi/FOAHwNpzrL+D+B7AQ0f2v7TaTT/7GQo/yb1QwOp4ob+w6pC/0UgPQFSIvD/8BWO/nNUJwPB8Sb8y36U/zPcgQI3+YT+tv4M/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5709d5bff359654950b6617660cf2865
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UY74ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rWiDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mdTQPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "93WQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "srplP9PecL9F8J8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKjgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "JzjhPi4gkD3vOc0+xymFv7cKoT5dWUA/6cB4P08GiL59Yac/TQAoPxuucr953jO/Lpp8PznLpD/4Kr69o7P1P3vSgz8jtZG/svwTP4zAAMBJewG/ikHJP/Ltrr5taNW/FiA9QN3Jgz+iVUO/rcXoPw+t6T928vC/T5DDv2o/KT8tEim+OZjUv6V7br/PxZo/G+YIwMgQ+r+y/c8/Hf6Zv4lzrj/Xj9g/M7QkwI20NsCRMf4/hFk5PgYu+L7Jo/y/xDIRQLPEZ794/xHAYn5svyGqhD8/gSNA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a65714dc2cef1c94ef755343d17cab90
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UzPuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1xKCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xw2/PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "swOOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AFIzP7b4gL+FJTa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMDgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "JHJBP0/cZ75Ye9c8A+GLvtlSYj+uoFK+L3q5vQylwb8eVwy+MIO1v8kair9U1ZM+JP++vdB27b9dGpe/uqbIvxediT4eKq0+TTeQPlU4FcCzFvY+EtDVvk8nhD84bKW/4dUgwLMZaj896j8/CI+KP4XFHr4l54g/AUKxPPVfBkAWCNo+UGv8P935K751EGC/hG9Sv8zoGkDczUc/DVHTPzK7NL7eBve/Xf8JwNZm2r/X7BA/d7cgQNMKRj88OTO/uwUyQJ4cpr8V8BO/DrVkQJh/ob/+nY+/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f754d12688dcf1a1d6209a09a54fff4c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UR7Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MXlzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wcZ1vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xRxkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "F/GdOwBXjj+4QGK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANDgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "MAhpPxI5lz7GvAc+3JmsvREvTr8rxfy9Cm2CPg8fyz8YYmy+9Luov3S0Xb7eTFC/O515vrBg7r/8J2Q/UdwEQDPhkT3HqRY/R4yMvzPypD9kjEe/QtLYPki3C8BQSb2+RTbAP34OFMCudL6+ZVt5vxlm5z9NixY/f7QNvkRfNcD4a4S/Fg1aP64bHEBTVAm/EiqWv6mUM0DLqhg/g3+xv+pwD7+m6Oy/SDgmQJltcD/rJjk/o8TEv2Oo9T+30MW/a/fsPrF427/sOM4/MQYPwC/XAb8/DZe+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 513ca7c6016b9af4a5fe18150e7cefc2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3RjTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PUV+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OZl4PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xjWevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IokWv5nYFD8jhJc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AODgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "jsGVP2rFNb8BKNo+kSCRvq4bm74eYsc+eISQv33Tpb+BWW8/RQA2v5KNkD/CaAg/+Jtfv/cNzz5IAE2/CV9+v1Cxp7+OAfI/8g2YPvJnBUB5NzQ/XmrPv/Vdpj/T940/4yItvVqwQj+75ADAaQtZP8hYqj/6Yt6/fZryvwcGzj1pN4G/RV9LPWhGOEDNemA+7qvnP50Jiz0CChA8loy8Pxy9WL+gT70/u5CxP55L8r9+Rqa+NagrP6/GH8CGZsC9sXKTPjfGD75bcCLAdyIfvyh4rz+rqC3A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4da6d241367b8c92a76ddeb74aacb2fe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "t87Xww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RGtlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8NolPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "88hvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BhLUvfhw+b5xrKM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOjgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "WAtGPzR3Hj0psuO9JImRPK3LDb82fGg/vrekv3BOO73KcUw/U9xSPp/Mvb/1RKA/zf+6v5jQYD//7oq9Zu01vjHPhj9Yw0C/krn7Pw0pOL4sFfG+VxkuQNMXmr/BRm8+qaoQwNqAGL9dE80/xn38v3Z4UL8Z7CJA6KxAPhWLBEBNRQm/9TSTvromRD+ObgvAGQpIwFWomb2Rssg/5TkYQByyDcBCXxS9lHspQEvKjb/S9ak/EYAmP7T6Pj9kiSTAoT1MvwfrwT/vwSjA859xQLhYkb9bDSO9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 35b1dd1837d29e1dc0ea63b32639b358
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6pMFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZDyCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4KFovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UFBKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AryxP0ymCr7zVIe9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APDgRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Q8GDP1LxGT3reLI8RnwRvoEbQD81STu//OeCvwpsyz6xRgI/RSw6PUTMBr+MjYs/P7sGwBJDQT/8ol0/UMDzvl/EMT5M1sy/MPwAvJ/eDEDofIy/ltCgPlc+pr5IVwhAmRwEP1uLNEC7Hqu+akyNvkWmAcB+33A/Hzkgv0AfD8D1daO9uSzdP/JTQz8nrek+eJrZvl9ULEAbYgfAeGiLv7PZEcBIItA/h7NUP1beNMDlhaQ/bFnbP6b4eb8swC6/APfBP3IGKcC1ZSE/KgwWQBvjFL9tZ6W/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f0d08d5dc55890f032099fda987a4a7d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zRLHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+MRKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Dw+hvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4Xr0vQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+I1Pvz4/PL+jWI4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "J8swPwo2zj6CPzE+w1QHvwFyQj4c224/2i8dPrN3t7uqMZm/M7noPwn/Sj9k0hI/5w39PwjpkT+gDP0/KeKIP6zJyT8GzxpAxQzRvwPKFr6XlgS9Eev+vlHVZL5/Yu4/4NQyQP3Z7T8vDQVAf1iFv24XNj9S95O/favSvSIVsr/AaJ2/LN64vwSux78jXx6/5RW2v/QZF8A2ev89YAAQQNeJgz5dgiRAu00nwAbxej3l5Mw+GkQfP1d1+L+1Lkq//18OwODz478Xja2/3ml/vyL84z8inHu/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c6746f0302788120b30a75c23216dc5c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ls70ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Tp13vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VRcwvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eZdLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "M1Dhvwkzjb+W7Di/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABDhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "5kBLP2pJ17ytWdY9WEycvkJwPb91P7W+e7jAv0jc87wac3O+cyXGv0VEnT8wLo8+SGYJvyPX8T+GjDQ/Nj86PyHIoz+FBSQ/mfgFQCAAMb8fmbw8b97cP/8B7D91ZIM/ATI7vmVa9b941VK/SrYEQPkwz7+qYBk/tVIUQOzrcb8O64G/xg2vv3cVJ8AWuKS/q5IiwHiW1j9lxaI+7Sfvv0MHBsAxyAfAN08HwOLwMMBrZvu+MXoWwH0G9b4Jqwy/RFE1QMsTQbtEMNg+xaeKv+FiZsCgStO/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: def45538155127c69380b42059415239
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PSrkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iH9Yvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zemyuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OuhSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sweuvxuBmL6JDNs+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABjhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "SGr7PmgzYj6Dqz+86wQvv+RfOD/xzgs/nzD8v4mhMz0KcFA+Jd3av3Ncub92SI+8zeIWP/xYbL/ojlS//TYXv+41zr9HRnG/83ayviqW6T/R4qM/4mbPPz9Inr8BkbG/YL+IP56bAEDEqZU/j9SEv2VWHED9C+s/doYZwPf+8D7xija/PYrHP+YPgj+gUb0+Sw/Av1Xs97+52XE/GGzTP8NsMkD/b9E/7kMjQKSjRT9VFAA9dmklwMK297/svui+7kX6voY0H8ApELe/UwUtwBS/PT4CJYA/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: db4e64961607f7031d56bdf6cf4783f4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rCvuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hAxkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ECADvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gERDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Tb5Jv5V9b7/NI38+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACDhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "fl5kP2Klkz1D7i4+WttWvj5Mg78u23c9DMB0Pis1Pj8AJ4a/OHCFv5ay272/Y2G/Ejjgv2Vb7D7gZIW+FUAcPyw4xT8nWO6/zcBJv/3qsr+GgqU/VvlhP/BUaz/KgLs/6rjSv2WFM78pYv+/kfEewOXMiL6BYwvA7GL0P/CBj759b7q8w8a1v5LQBsAKspE/VnobPoXA8r/nGQC/d8YJvsJ9oj+WUtU/EwS/P/zV5z/K1qQ/JOOuP7Lndz4LWSpAAQFOP3yYFr/XmzRA0asUQGg1k72SwyFA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bfcf619966155318b40cb1a1a7eeda36
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zJfbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DK5pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2AsFvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FmtIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GsDrvjrpvb2dnWy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADDhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "q48IPwGQATz/06y+ZlErv2wWPz80K20+La0/P9V1oD8ApN8+XUZ+PytLCkBwg9a9HJ6SPyoalT9vpLg/zwy8v94Xvz8BlyO/05tOP5FkeL4v+Oi/ITGvvzaPIT6wkLM/64f0vwRjZD8MA6C/35GDP8AptL8P1Bq9wHMdwIVZvz6YNLY/w/VTvxm8AL8/sRBAHW/cvT9XzL63WhrApqbDPxb7vb9JSLi/LddmPpEuB8CA0Vc+ifSdP93uE8DZA/m/LfTnP2Oev7/mETg/VsG2PwdZ/T6QuRXA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ec77e5272742269d6f102a0c75a97cfc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kQjJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DtpLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RKSmPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lq5gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dEGxv7r3wD7qBHQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADjhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "N0BVP42x2z6yofO+QM4CvjVjFT9bzTI/Mk0sv6t66z+jXJq9Jdtcv0RMPb/YKT4/YQciPzuK7T8tQHO/8R+jPs44WT9djdQ/1RDkvt/dxr89RIO+SuvZvyOehL/SAOY/YoHHvyVbzT8xKCu/k7ldvynKLkBk5wU/y/nuP0IHBb8PmwS/+Y0HPytPAkDjbAHA8RxJv5JfJMDYgNi+qruwP5G3IkDyBwu/QbYNwISjhL61+wtAF8QMP13gWr+v542/+SoRwP/n7r9Ix9k/rzQZP8CWgb8KoAvA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f327d08bedad78c6f009c6f0d677a280
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yIfAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6gmDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BkqKPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bJylvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mDQmvpT7Xb4nZn2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEDhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "EZvNPokzDL69cly+Fcwpv5l3bz8f6Kk8PSKBv+mOSD7gpKw/biasPmNtFb99YZ8/C1fuvwEQ8r5TXZs/sbcrP6S1b78E3rS/VNukv+lXcT9ULCBA+7YNv8z1xT9RJipAvzfNPwcZYj0FRXG/5rmBPy0B+78nnqC/GnusPsJ907+I97s/aGSPP4brxL0t8uo/Ylq6v3pbiD9t+De/RSZNviVE9D99PWA+6U6BPFtQLb9Chy/AGP2TvuRrvD5xKDXAPAFevwQVqL/FYzfAuno0P4u0Zr8VC2TA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 57a651bc2c72045867b8c02d37825a08
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BYvRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KSaHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jdOQvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4DF8vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1A5vv/1NcD92VFU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFDhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "GceRP5LvOb4wSrE+AzeevrAiiz5rxZq9woFav+v7CL85D4k/78/pPpyFpb86fpw/PgNYvzSoEj90yrm/izftPznR/r5pcNK+xSXTPvhUD8BJPy4/sBwjv9dpgD8MJZk/+wsrP23Mtz8ye+E/fNbWP8FBUz9qbaI/Xzw5vyEzE79EoRbA0/1GP23JC0DLvCJAMzdhPyAFub9PBA5Aijftv5wsbb/t2Zs/EtvEv/3BzD8v5KM/FYSevjLQtT9J1fK/sIscv3ghv7/b90LAYTPzv4zBWz8NTLK/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: efaa8817bcfd808332a5adcdccb9bde5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wx7Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QiV+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lzjyOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "g9uCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ucKTv3Xls72Y3cM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFjhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Y3kdPz1Kzr3abSy+0/9Mv/IzqT5Svhu/YNGqvz3QO76QKUw/Oa3SPZErE7/DiZQ/3CYKP4HNxr8g9h0+A0dcv+kqtj/O6hy/PscRP01vAb9tsQhA0pGtvwofhr4qLPK/7QMAwDcXhr8dMzk/dc70v7foRj+Bods/51K9P5fE7r9Pocw+cuSev3mTrL+oZvK/MzWuv9Kr0D/emd8/PmFXv7wPDz5tTTHASxQ2wKWGhT/uLbU/M+wawOfz57yfUv+//x7tP9sTBj9wUfy+ZUA2QJPGhT/D30a/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c2e47edc600b85633e3f7a6339337f6d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Q9MJxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "A5l9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WaMevQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LfBVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TrQTP7QCW7+EDYu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGDhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "T131Pf7FJztg/gI+dIOLvygIIr+R8nU/5tczvwt2q74qU4+/rhnxv4m0Zb+VEIi+B3wAwOOQvT7AWoy/2IMGwGiRqz/66iC/4ToKPyTQtj+xpds+nLq2vZUOGkBBB+09mxO7Pww+vz9zoYU/LpUnwFEZbz5ivv2/Z9ghwAhA4L9N19e+j5KTv6PKeL//oQZAT8aaP5JVZb+Xirk+8WKKvtMtR7+kRwDAGagSQDBjPr/Tp9m+yTQXQCrnCz6XOaq/lgRDQFCNvb8ObhO+z7lQQG6x2z28A+e/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 971be96b1949ff2a745acf8491d11e8f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TSPHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TRRRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "s7W+ug==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4pZPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eGJ2vszRoz4l6QK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGjhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "y20uP+Eol76+crW9NSJsvjoknz7113Q/koa7v15kLz+Etu4++mi3uxhRhr+QA5y/K+n4P/yn7T5aE7G+pEfePDbMDT9c8QtADXJ2P8ezfz4XphxAdrH8P7oxWL9xqKE+qx0IQJVwrT/98n0+K9YHQCsxPr9Hmqg/82bzv34A7D44TVa/gfeevwKAqb62lte/rKDOv/D29r5gFyzAG8ADwBxvlT8jq48/tBqEvpfgA8A3kF2/98EWQHy79z5b/ay/ptc1P9JHmL+6JALAPFI0wEEPej+joYy/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 57cd8f94a8833026272da09aa3f1edea
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DJzbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TkJZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "FM8ZvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ic4yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "okU2Pft5Qz8oRPA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHDhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "tDRvP1tH5Dy2mYE+N1Wnvsg+VL/3DQM/qMITP5rstT/blFI/KPJwvzvGuz/qL1M/yF2iP9TNtz3r6ZW/P8e/v9Pu6T3PAyM/GM/Av8hHiz+StNy+CTa+vjwRAsB67xs/kbodwL08ZL5BTn8/077pPhvk1j5Qk9e/oKbiP/VJlL8Qmd6/fSGMP3k8AcAvp9C/uCO+v7vuDkBtUq8/PPTjPxKR2b44yUY/4/ktQPdytb8arKC/6A78P6imgL8gYjPAY86BP8r9DUCQy10+sBdyPzUNxD+lfuw/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5e6ac62f3794c1f84e0e81c96c1a09ab
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+Q7Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JQZxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fGGyPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KqmDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Nuoxv0j5Cb/C+pu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "cs6lP8hIkz7Ek5u8hAzCPsNSBz/WDJI/Zw52v6Hdpj5Cp2o/2lVLP4nquL4dFKW/u4eTP5acjD/SuaW/VcFLP70JZD+6lw5AV14nv1rLOr+rG66/+o0TQHqlmT0yrp0+ORvFv8Xds77qxVa+spPCvw2Syz64ueA/Aluevyby579Za/O+6h6vPsKQ6D8AEqy/TY+9P6D0hL8dFOW/q1AEQOH3tD+HJ+S/RUkRvzJGE8Dk2GQ+/TYBwKlwHMClcWG/+IOMvwLkIb+tPRbAbV0iwKv0xjt/9eO+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1b147889ef24e2893f805eeac563cda6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dQrJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "T3d+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5PihPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NluJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ke2Qv/G6Pj4mjdG9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIjhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "rLqrPxUv9r0ELDm9b9EtPqW+zL41LF4/Uo+Cv/vMoT4RsHY+KNr7vrGOVz9vnIa/LSBpP4BlJT+Ego6/gc4nvxe63L/DnTc/h+v4v/XTX78DW+0+Jp+Iv/d65T9az9e8UGAiQAHa9r4cDwY+t72zvp91E8B6gx++58gpvywsGMC/f8s/C6zVPh7FKb6+v/M/jJBIQFneFb7XhCC/1szIviUIHECFCQc/qeslwOHQlb/3zLq+Olx6v32ZND/RsQDAPXoBwC+JD0DHg42+RGUjwCdlRr/Q9K4/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ef321453166bb8dff7fc09a688818cd0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qLbZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1eqDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sKnzOg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "f96Evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4jshv807jr/5g9E+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJDhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "iYzxPpVdOD7k2Kc9HD44v4bn6b5r7Tw/ZBPQvwqER78H6KG+b4vHvupGs7/re5o/OnxrP/D1tD8EtHc+4JYmwFCT3r9zYdg8wQ+hP1w+7r4Ta06/sICpv2WI5z4D9uY/DwOUP1Kisr9QvZa//QHMvwM/tT/vXK8/+WH/P1opuz/+oBe/mHkPQNl3sT5cMqG/nTsJwLVbK8CAor8+7GYZvwj/ID9xiCZAtKRSwC0Jsb/i3E0/IHNLwJJ++L8g2mC/phonQC7VFUAJIDa/ZpMNwMym67sinw9A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7648f121cd217c42e07bb0cec961a8d3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wpXbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "D+1zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cw8JvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MqlRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "A1tlPuVEW7498gc9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJjhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "wsnsPFbijT2lb6K96H5Xv7lOpD8A+kU+tPwlv4dUqL/vroe+AuPvv9alhz+MMAs/LBvevxS4rL8/WQm+jyrsvkYVG0Cn3b89RoYoP0LdCr8mxJc/Wj6IP70zvT72YJO/SlLjPfhV9r8joWM/qzXGvnG15b9Ai5q//6apvg7clr/p/gRA2DzYPxU+wL7w270/UNjHP4ukqD8TmGi/SPToPz0t3L7c9pS/A4Stv56LUb/maAhAPDi+Pik35D6+5xjAFkFzP6L2WD/AwELAF2k9PUJgzL98WEBA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4c2585a20a7a7cd3d18f360bcf412abb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yJLbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bTh8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lKNAPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qTCWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Qj5oP7Kdbz5nmwO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKDhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "GSUBP0INUL6ykfY9+xxiv0o0lD77tJm+8qKQvyQOhr8dN3S/sZaEv4laOT7te+C/oll2PuoJwr/lLf6+JDXkv2hXlj9pBgE/ng+pPupgsL+IqG4/+c8CwNUn0L+VKH+/gMBsP8qBDcCCbXi/2zcavhg8ez4ZNxDA6/Dtv8dDTT91s8M/VEKxvx5YDEBHfAs/Ry/hP2mgFz/J9oI+6vsxwFTdmj//zH09Id36P192jj8BvDG/VgHJP9OEwj/6Zag/YSImQCnBvb2shOc+hwYXQMMVBEB7/7E/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6c4b334c246dd5730a54c5515259466e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Em62ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dHljvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "94+FPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uCCTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wTnTvrL0Gb/ikiM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANDhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "TTBGP8GwdrxVjya+0WIhvna8kz77SaO/fbsTPXDVEL8a9IE/2d/1PnpIsz9zpvK+0H5ivwOmwj/Rb20+dejDv7n19D7kBCK/OUKjv3n0Gj7jW1M/G72RPeeTID6n7xTAvmojP6zU+b+xlRM/QZ6cv0XDHkDZvRg/aTIBP1iUiL5V0Po/zaEGwCilCz6ABsM/SxzmP3dXk79JwAq+vrMfwNcQ7j72To+/1gNXPOuJHsAV0Ba+FVFtP2CKKMCFVbA/vssoQMmWeL+JaQo/2tcKQG7Mwr8Esou/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 11c7f0fae72a07aed4a8e7f6280ff602
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cxnTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FYx6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "096APQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "v32dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Rra3P7nCG772tMO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANjhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "+MLNP/Hivr7Tt96+jqG/Pj1Up7+JJR6/mvMOvyttDL4sr2C+jfqvPqAFC8CBrXQ9Hr0jP1v3Vj89j8O+ebTvPYhv2b8x+fm/1dCPv8w/Zb7AL5k/pmWvv8OX6jw/VW6/WLmkvuWu975/QfQ/xkcZP3Q3sT/pbaq/OClGP17l3j+bHDU/GvBDP3F6F8CkyAzAn+LFP2UTE0DPhBE/A9btv/qGhL9akZ4/xcvkv7DVdT81Oco/f42Pv5Bc1D/8nMY/yyAHQCH3Bb9k6gU/KroVQLvhyL5dfZ+/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b132b84f91676e77b6fd568d46cb0c99
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wNfyww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "A3lmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uhFWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lPQwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8gebvwIrtz4HCEY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOjhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "aAvYPQfdk75OTJE+A/CIv9h4B7/V4PO+Uy4AwNsO6D4pOqi+CJOGPm+pdD/Bl3M/PIrUv1hHpj8F6Ng9ileWPzpOkb9JbJk+WuFKwIUUAT+WGJe/6N6Ov3eQzr+PepO/EbgAwP+D3b+m/86/Qyw6wBme+T7LzQ/AkT/HP4Ipxz+MGC8/zER3P9FWC8BhWJ89itZ1wAwRrb7Hs3q/jd9twKBGtj8dh3i/uggYQBM/Nb/1UQc/jcYeQJQALj9UIQM/QrV5Pl8wRT/Km/o/62NeQJx9iD/CApo+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 555e8cd6bac9130a59d9d3a12afcdd83
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2Z4ExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YtuCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "b51/vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aM9Fvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cSDkvd0kpr6YNHa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APDhRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "HCoFP0C+xD3PWKW+yg0Hv/pASr/+ccE+KfJzP+XSQD9wiuU+29Ggv11Nlr94w6++mjxYvQSsfT8+M7W/Ot3DP6mCMb8S0XC/IE5mu1680b/LcFM/1wWUv6fOo7211bY/qrkawJz5xT6ab54/MUY2wBTm3T35l4s+B4QpP3HHmT92Pg/AscEuQFKWUb9Ym5i+Mng9wK1tiD9BkwlAlrR5wLJNqj/o7O4/cE+Yv5s6sT+AUre/pKMzQJjla758vR4/EOZrQK2kw7+biDO/lbRcQKbXAMD96si/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ac3ee7fb3beca74bd693fc5435c3417f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "J5Pbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Km9nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eVxUPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JEOOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6IJaPvxvJT3xKTg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAjiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "8iu5PvUOCb7fp9+9jJFfv3TfVT9mKJk9HE4Hvx/fpr8rfpQ+bn2LP6GBGr6CUKy/9VDUv89swL4HwxU/f8agv3X9nD8U4F+/XugVQN11sj11+Sq/XQDdv+Boo78T5hW/MOpkvo7qDcCzo0k/RjETwM0KBcANlaa+uMA4vxSP6z/0iYY/y+3RP5yIDD7PrjM/vVHQvpHsKEBSVB4/70Q0QHNCgj8MAYC/C/xCQPdpPb+Cu0+/zu8YwJ57yL409bA/6lPTP4uEjD81uJs/V4z1Pwc3Jr9m3bM/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 281159a1cc941c825a7f17ed6bbcc859
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Jq72ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rn58vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4dFGPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5nWEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "u+2av7q95L1lcBS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABDiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "cLOQP1hmqr4iX0q+tLVOPjeFVT8msoY9HvqOv83CAj8QIxK/Bn9rv/7WVr/BH5+/SSvsv7BfOL8diWm9y5q6v4PFq79LIJA/7j3Wv9Cvpz/GiIW/ET06wK+dRL+yTpG+uefhPmo4m79tHX6/jzQRQAfl5r658VY+KwHZPqVFzz9Rn6c//wpBP+dSDECYORM7RFDhP6iHB0B34xW+h8RFP8svCsDIJoy/L2fMv1mLO7883O0//DqeP2VKpT+azPk/DvGnv5GgiL9Tiw7AtdfavpfjBECpMuc/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 84f47f7110596019bcefdbd7da3492e6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BZQFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SKR9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wTpOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mBVKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GFsAv+lgrT7vctG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACjiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "SlwNP5B6E77K4Xu9/tdjv21tPr8vqaq82/PFvRlnoz91VQY+oMawv7PwGD/bliI/2siuP30gCr+QmZQ/DaqCv+SSz79X3B0/vAbEv+HRd79vaq2/5ZewP0I9t776gJW/Lut2vszh2j/mMF6/QEIhwJOYvL+E+ai/bhFmP08Adr9GFAxA9ghPP79CqL7R0fm/6gaJv3wKHb/09RrA1UkdQGbS0L4V3YE/HK7xPiBaDEBbcIM/hNmvv/KAAT+WVtw/t1QVwCyPgT9aYJo+pdeVPy10K0CdlBM/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c4b6faf25cb812befdea1e345fd68d32
username: gastegger
key_value_pairs: {}
data:
  {"energy": "S7D2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XyR0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bk8QvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hBBQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "flLtPaAaT778qQ3A", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADDiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "/Y5sP39nrr0q2aA+GuT3vnAsNb+6xAg/jKYqP6lSEL61kpS/zwuTP8KKpj93F2s/KvMfv8MxVL9ZE3S/fF2sP0XENr8YMNO/7c3bP7lBPr8SVi4/ZSCVv+tcer//Fb0/E7K5PxAKtz8aowVAZQbwvyz5Kb+A3uK/80FyP3g5FEC+Gi098cFCP4gkBkBLb2y/lfmXvzr9/7+dj9u/0nPRvxwRM8B9MJG/UHMzwKnGCL+fKp2/JPTjvzFbpb1jnSvA9o+LP+LdUECI6bE+CIgivyXYFMAuzCXA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9ac98094dd875e3d523f6343aec12508
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LZT4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wTdtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AdoWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QYFHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Yta3P+DbdD5cICk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADjiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "hLNDPzxsyL789aM+d3mTvhDPKz+lfu8+B0WTvyUh0z4ALEa/BTxdvwbKib+mepi/Z9jsv5i1lz+RQK+/39cIP4r1o7/9dSa/lmHuv5Iy+b+GYym/GSVgv3S0Kz9ExrE/2envP2yU9z7xG1s/obWgPymi+r8O1ou/TupnP74H2D9WjwQ/5OFtv8Nvlr/Z0RHAgzUDQEYJlD63sg9Aam/SvyYwB8A4YoY+WpuOP1ybCEAMnum+oyM1QP/r5j7G86I+YFNbPwqqHUBEcKQ/1zQnQII5fz9q9SRA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 626924891e7ab2b740917c5ceefc7e26
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YrbZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "I6Ftvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NiODPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "igV+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pvJGP6Sl4j4noAk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEDiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Jf+HP+22E7113rW9OXmwPo0JTjshR6G/xP3mPrOnCD8tqo0/edx0v9P+Zzz0EKU/VhWOv1VrwD5eqYe/J8jWvyDPEL6JPRk+Mrg9P9pzW75wRB3A+ZwfQCY3g77ZbvG96wS0vxXmhr6YDhxA6cLYv6PfBr3F1PC/Z2ubvxQevD/+a4m/+C6DPw5MfD6RO/4/XT0YwMVgEr9i8hdA4ozfP29/v77NlyDAdwxDQI9/Gj/KgwW/pkE2QJ0M576VSGU/JHQuQE3ikL+ZKDu/ERHdPvBm0T9Nsok/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1272151a92f8fd3a910e80ead5920030
username: gastegger
key_value_pairs: {}
data:
  {"energy": "v5Xbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "o616vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iGdJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "woOWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "E0kUPgdCwj6ad0w/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEjiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "SoTqPtM8mL301Sa+8zh+v55jL7/ciBY+4+7jvad0GT9nSrK/Eti9v1B0ND0XaIy/fsWFv47HMD6937c/ea9Avxb6tr7zahLAfr6xvrTbpL+pQQ3Ar/SuPgx2SD9s5pE/kHgcwFSoBz9LWpy/56ObvwcX4L8gS24+zbTBPk4z7z850H0/f6ekPx4wwT4L3AdA8Oc8Pj8syD8xgOW/KWDSP/BwRr/y9Ka+faQFQOeMZT8uEABApibwv2u1YD+qlsE/bqWAv/N42L6YdBZACXL5P0kdgL+jkhA/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b8c131cc85e4600f356b0b315b535204
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cCzRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Cr9Evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lSg7PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "L4lzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Lsokv5/lub0fv7c8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFDiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "s7UHP7zdgb0t8Zw9L74zv488Mz/RxrK+DEzqv7mxFL7rh5G+v3dBwElU/j71lSy/93NRv6bEyT8ovJs+iMbNPjJmtb9471Y+qiEMvyMh3r+xUKI+cQ/WP4Rx/j4Wpo4+cl68P3khDcBTaEg/OuBPwHDcrT/ndOm8TsjbPwQp87/hlOc/3qPJPz/18T/+pHq8EQodQNbGDEBHQGM+IqQNvy9eiz8wNK+/vRQ+wCtsWT8dfNu/KkMYQAe4BcBhczw+3CN1wM8Ebr7oXBa/aL+WPwJnUMC4E0g/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4d1126ffb102036a9a36e5032e6f7f35
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vJn4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "G0yDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZaqAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BENGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "guJHPH0FKT5/9pM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGjiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "hX5wP8pmQ7yURHC8e54DPZgH/T2E6Ze/R46vv+aG8r1y/yy/R5Crv3i+8r1LPVw/jU8VwHn/or6zwa+/Sz4XPo4Dqr58pZ4/ge4hP/Rzoj8dIxS/fN+0PkDxrr8GH8M/i5juPvk0nD6IZgRAloKaPnyKr73x7Q3AThkWQNYV7r4ESFm+l1H5v5f2d7+of5c/CU37v5fLlT8ez7U/3lewvxLPAkCg748/Fgo3QFJD3TwySYi/4XA4QLK2pL+5B/o+m/Q+wIZ6pT/6NYY/nNn/v9fgkD/NzSBA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aeac4a6f4adcd50f9fff7a1f8984dff5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vZzbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4C1wvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "N6anvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GTlbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qaSuvlcER79kBgq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "mxceP/e0frwoH0I+h+YHv1etfD+MTXW7F5Lov2vxYD5fZ1E9SnG8v0+YnL+8Iea9HB3sv5UTOb//Pps/kg0vwDo4LD+QcJq+VsoMPSNvr789L42+oVUJwMTU8r8vxSG/7ZrTvouICkCudn2+GRNRP+6peb3DJqI/VLTxP7kK2T66wgO/sNTaP00g9D4T2My/GvIJQOujtz+sCzi+s6o5QLsVBr9puFG+x3A0wEJjcr+caLM/ExGLPuOsxL9gkqq/YnptQI8Nhb6u2Sa/683dPjbJDcDDJJQ+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2415b05f4ea5d72594a0d88bb1d299d1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KhOsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MnZivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uCEGPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UP+Bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HLZ9v2SS0b5j7to+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJDiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "xsN/P9mOnL6XEjk+sO8zPkHKlL8VG2c/99c7PrYZhD7lZny/mRMOQBZlGLqA08M+XRomQFaS775+5po/ZLGbv6nner8zEhU/hIfhPjLfsL8/He0/0v+gv8B4bL3yuhq//Bnkv2un0z5kjzw/WAOav/DHkD+jl6c/RBb9v4EvYr7A6rK/stg2wPDxBD/jiFU/MNnsv9Vv7b9wQCs/iprgPsmIrr6eWu+/wLQAP/tm3D+If6S/8M1PPmd4F0A6kei+o+TJP7Yd7D+thbe/Q8O3vP60A0C5xAvA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 530d9a5a9d88996f8f5141566178051e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6KLbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WdtUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pIw4uQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Nq1Uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "g0wSvrZnDr8npXg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKDiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "MPcLP0LLOz6NNa0+2sDpvhNYJr+no2A/9M3yPh/URj73a4a/m5S3P1DogD9l64s/Os/1P/+8zT6RwO8/FcOYv6Cgnb9hQJm9fvgrv18gQr/UjrS/wzkMQGgKsD+MdMg+igkwP1AqBEDMpNY/3FUVwF5XC8DHBsg9QhYiwPqMF8AK5ZM/cv+YP6WPUz9VJ+W/+EdQwP2b5L8uLrS+AKa1v29mY75yaADATB2nPzWmK0D1TgVAvBqUvmuWyL+VzQLAYKAIwPMSScAZnsW+QbIKv/E+PL/F1fk/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4857259251faf75ceb02def3d126b0d2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xGccxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ek6Lvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7PtwvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KV1avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "j41gP5j6A8BBnyi+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANDiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "OqBZP8MhLb4vK26+uct8vlDLn7+ghQ6+Rw93vybJib+UzXO/JnrFPynlpr5WVhw/CFZHPjoCij8bDyC+mHd1PwpDDECIFmQ8ZY4BQIk++z+KYEI+W9T4Pt8yUkBPL087ZcvWP7YJmL7i7sG/AhDgPmdnHsDecY++ltADQChMqL/1w9u/k7X0P46oJD/4mQ7Aq1R8v7Wnlr+k+Yo/wTv4vvoso78Q5fo/YtkUwPNeZb9eYJc/ufpPvnhKTMDbf16+WwUzwD6cRL/QaEE+2F87wGv4Tr9faQ5A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7af5a58b0445dbd1fab18a2f34159b14
username: gastegger
key_value_pairs: {}
data:
  {"energy": "c5vbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KZRFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mtBkPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UMh+vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UYOZvkKyoL6JJPo9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AODiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "/E9pPxPmgj61SzC+2gd8Pnn0fL/vvxq+dll/Pi9TnD9dHma/craBvzuNxT9XYZm+HB7dvzOEmD46aAo+jJaKvyJ9YL/Qox0+yGhav5LbD0DzxAg/KfrIv0csBUAci4m/h7DZP8gwIT8jHYY/MqXMv6qrB8ApHQE/T6KGv55ROMC53fo9tboYQBYdSj4MQIG+ox04QFejdT8deFi/dV8xwFkttT5Cy9Q+jUzbPwWthb1Jd/A/vR8lwOeXDsA2xZU+JQA2QNzKSL/7B4++PmbfP0cF1z9IDag/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b9f528ee66499fdf9e5222c95e0827f5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8pEFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "G2V9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "J/mRvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9iVrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GTmvP/iImD0YW4i9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOjiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Bv0ZPyHktrt3zHE9fOQyv3Bnmj2ROka/KZSxv2Z4Fb/d1eI+EBxevmaK9L5V2qw/EkeAv2jriz8sTYS/8WEXwJjZpL+PxOo+hvk6v+GpRb/4q/K/kFrpPuudXD/ZPqA/1Fenvs1PAUDMzKA/INQuPhbuLUAARVA/r3LpPBnil78LfAhAhXisP5Heaj+RYPA/R6y9v4gqr7+uveO/e8DyP+TRB79Y//C+xhbYP72osL9v2pC/N6UhQO5PY79Nhbc+uk4iQDoQCD+WJ5a/yY9CQJeCHz4rOfO/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: df1209a11bea7acb8e5619df9bf37750
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vJjbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "U+hsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3XyjvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "t3hYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BkzUv4dQLb/OcGO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APjiRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "XPSkPpH0AL6Ay8i8+Xtqv4UBL78xTTm/v+LSvsRbnT+eo2w+xiPRvxtOMT/rlQa/7sw3vVcyyD4KfLE/Vi8mwLZsNT9aymi7/yXDPEZ6DUCUgK099r9bP9wvOz9FfvE/xzeyv5xvxL/F2Fu+EYPcP+zTob637NG+BKl9v6PqTr5nCBJAJMPyv7Hwtb44mu0/mA4ev2oTgb89KwTAau8ov7ZJi7/FcSlA4iu0v/uxr7/LiB7AEdDfvxVzlj8Ar7+/Nw3zP64tjr+z75S/MCUpQJH/qj6EzD89", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 61392c29687b6cc0be7c946f94a1a56f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Myvuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BriAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "l2+9vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QLgivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "26ejvqYKVr/ZJco+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "qJYNP6rkDL4wti6+c+w4v6yPU796Dze/mUuWPxcQbr9dH48+BSlKPucXXT+lsGs/SDuiP8tjAT/3aZi/x4qeP6zguT8oAXm/mb7GvuKMoT4X2QxAwbKpvjMdRr+EThRAprPMPqbqAkCKSz4/qBOkv/2vrL3JEqe/eJGtv1dAk7/NMPI9cGTlvvCk/b8Gdbu/jVJlv/M5jT8Ak0NABuuUvdF64L8LJDTA9+OevyGOFT+8endATApkP0Lqnr/1XznAdg5Vv1sKlL/HuFXAQKUAvKUYL8BWXVLA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1c1ae7cd0411a3947d45a8a1461a2916
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0AbJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "c6B3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OZcivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pfpOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sp1PPzdx8r3lYfG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAjjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ekSiP954w70rWia+ORfQPYtFVj9w4WM+92lRPlbQi79APka/lZRov6U18r33+Me+CZjuPxyxsz6JTHa/4/pQv7aDxT2SE4k/GbfLv/2SNz9ZBKg//cMGwCRGnD5goY+/kdgLwO+xoL0BVArAtE8JQNCnE79cpnE/xQWxPefM9T8L/kE+xyAMPrWwBMCx2Jm+Eco8wBBhhT/jXSe/4oTPP15adr+gYOg/CWheQGNRDr/74Wo/scmAQPIINL7C7Hg9xTSCQAoja79u7N8//QKoPpzzmr9AI+2/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a0316120ae203e31967123d6965d3bdc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "96Lbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3dNlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ElAhvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2H89vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Kqmbv2A8p7/j/F0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABDjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "MgFSP9h9oDwI9Fe8EQmHvVlrxr6zb5U/yXJ9vPM5ND/HPI6/wE2nv1N97z0Wsq6/sSz2PptL1D9Wkdm/bIvlvw36Ub9nDQG/YCydP7EzaL/Cnuy+s+CUv1zVmb/hfSI/LWfsPzP+Xj+pNc8+dKrvv++T1T7pIg/A6Gr1vhwnCj9Lncw/0jwvwPjsqL9gdjK/zXMzP253kr9Khw9AgrftPyOtyT8Vqom+cpfXvwjW4L/3vKU/cBKQP4lZBMCCSOs/YNbBPwQBBb/zXidAqk1TPe1Vs7/tikVA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dba47c9eec799b012d60d35e327d3369
username: gastegger
key_value_pairs: {}
data:
  {"energy": "B5IFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zemCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "B9AvvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mN9Zvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NLqDvAoRcD66ToM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABjjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "6wyAP59AnD3cJjq7ycdavn7ya78e6BC+i4wSPqEXkD/kYzG/lhPlP0PCjr57gy2/rvBRv7gieT3xt5q/b4++P7Dq1T5INKI/3vfxv4V8iT6qKJW/x1eGvy5KdL/adY4/hCwOvxYRlL6cXA3AvqsNQKetL75jmb8/uvXCPbqADcCLSw+/CisBvrsNH0DaCmm+4xmyviO4M8B67oY9X+8jPx2QDkAPXbW/z2zhPiZUOEB+yRw/KoStvzobuzy778M/brivv78GAMDYS9A/CN2Nv3MvO0C9R8m+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 249ff9a0b784344ca10823566c55bd94
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fpfbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2At1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "t9TBvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QdFcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fVzrPkyJlL6ygOk+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADDjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "+BP4PUjLUT0asW299dysv6MF7r67GGG97PNzvsImsr/N1Io+NYYMPx0uiD/wwXY/W98Cvnp/3b9a4aU/g+kfP/Fnkj46Ube/fw2OP+jnoj8HG8u/KpP4v8OX4b0ja0g/fqoGwIb8Br81x5q/8/yMPXcKB8CgZfe+ZS6fPlqKBUCfryw/lDfYvzGOkb9wF+q/ekf8PlfL+75ZqhbA+iLQPisYVj+x9BlAw5rgP3WVWz81puc/ITgSQJfgrL01Mtk/HEwIPuU//L0ViCZAXvAXQPlZ2T+53wZA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e7482354f5be41dd58956aee8e1871fe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0pv4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jlqBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6dYrvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Yr9Xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KxM+PnjRNz5uFwK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADjjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ahcuP114mDzmFly88on2vgpTAD8Jrk0/mFniv39ftD4/B/u6zWK0v+5ZK79Xhou/63SqPfxMNb8nBp2/BJQDwCekpz8jCue+WsJBP51OIj+hc7G/jWrKvq07Xj8uSPo/GhoKP1GDy79qedS/V7cmwN9zmjwRIR0/8Q8MwAchsL+0u9a/lqP1Pwoa0r6EFT4/nxHUPyFynr/trLU/g78kPqzlwD85N9C//BkrQOjwSL/w7TE9IxEgQKvSKj9W47g/FmHePxWXHz91ney/lOnpP7Itez9sBARA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9d17825c7901a3a3c663819f7afda018
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RQDJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BP9rvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nFPJOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oUlyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dxUKP8LAc75MbGY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFDjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "grsXvVpHrb5/Rbq+nVBsv4JVPT8y4TW/L6kGv40K+j+StZ29nqttP3Id4z+7wZQ+wD6eP+mDrT7bpdY91jjfPxYZqz8TCVy/G5uvP1KzF0DiWoo/nJAivxZpnr9wfzQ/jKpPvxJtN7/FcdM/CYv4PbqIa79J2aO/22kuQIePwj/KaSm/l8n2PzBISr47yz4/Yjkyv/5DMUDraUm/cXXEv8+hGMBiiq4+ydazvnQMLsB9Qjw/pRYhwKEyKsC4P1u7dDe/PgfuXsAG+3U/lYGPv7RxCUC/M1Q/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eb82e6fc6cf1c8b08da1f47b8ca6a123
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9oz4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0xeCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "toNRPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Skicvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aVeRPhTosz7D8Dk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFjjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "RhloPypFu72wuy++la7Tvq9IOr++q6m+LJNIP0hUt7/OESe/Lw5RP3/+A74ZB64/V6IZv2FVS79dxpg/pMuEP1sdcj9bO6C/Gf6Mv30FQr1QMb2/HVWgv/Ciwz7rV9k/m35yv8AL3L82I9Q/H1ItPFlshD+5j/s/pMjTP2U7Cb/PFfY/m/zvv2cJID/hXoq//1NXvQEQLT9WUAnAILu4PcLNAEDOO70/nzB3P1ku+j9velG/ckYnPu9wlD9+u0JAcpH6P0tTYj8dceu/PzTGv9HqNr9YCQ7A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6a62182f0ce54fc393af8902f2bbb97f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "94bAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MCt0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pBp2PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7NiYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bFt0PxtkEj1gdm8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGjjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "M0ZtPyVT1L2NDzq+fYs4viSfbj+/7Bc+6BxWv2q3rL0g1o8/LvFWPon6k7/u1Dw/ZDZyvtfM/r+b40U+6GBTP2KQxL/0Vsc/z+8BwH0qIr5T+6U+KLu+v6ZNSD/oKyS/388PPihX+D+hPtI+KXyFvxXnuT0VqAtA4vh3Pz9nzL4jf8i/fPDNP/tijb9P59q/gUcTQNG2oD55vqc+HEezvxWYtD71RdK/O0kGwIu22D8lqy6/ELoQQDRsHz9iM7A/md0rQILbkj8P/4i+85dAQHE3Bb8IZYI+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c0cbecc956b5765737dedc10de11c3a5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0bL2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HeiJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cjUyvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cVaEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "b/WcvkfJ+777lrk9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHDjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ylUdP9PHHDzTDSS92ZJUv0BqvD4DBBC/5PGRP7j3CL+kv1S/iUsLP+01dL+03JU/gOutP5UynT/u64Y+PT+HPkwYCMAy84A/UD2zv7KSNz/Efp0+5CL7Pwd8CkCoqhM/eX0/P8pXyb7C0RhAZiiNPwYfCz+hdx9A/EHAv8ASV7+2AJW/ECY6P+0igL9COUxAG6atvwV84r9liR+/WwJHv8SivD9qdLe/4OkNwFkkTb8QKxLA1fDivqrClT+ZUhLApuUYwLfT+j2U4zTAi0orwDo12b/B6ivA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2986e6a0692c2bb9278be6360718f279
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ip2+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xM1Zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vXDnuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PpJSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3quGv5Xxbz2g/Yg9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHjjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "w0YMP/7i3b64Rx09kFI2v/m0aL9xU1E/yqiEvqygD7+ZJ5q/DjrDv4eXEb+Wguq++1aTvbwWqT4fCRXADW6dvmaLsT/ORwfAr0B3P+mqjT553SrAYLQsv+RG/r9VMIE/DzARwCIZpb/FIVG/Tqu2P0nUir9QBIg9VVcAwNGj1j4G37i+dZI2v7p56Dt670nA8aN3v8wANr5c5f4/4BB9P7DvdT+edck+2s1IPvNd2z9qtvY+SLHYv+sNGL9Y1R1ANToOQMEenD/E5Q4/NsEWQCpmDUBk40c/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 675e3e0ff21d9de1fb573b698dd7b14a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "e6K+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XoRpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lSoRPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gueGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZVM+P5ijd7+pMC4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "SMc0P0QLh74KwIY+M4S9vuRAID+mNVk/+0GDPguqqb9ohxi/SKlfP0yZ1b+OESg/Be2Sv3zBFLvE6KU/wa8tPiK/A8B0WbI/ncKCPcc6nz/91dE/ZWGAv1vDwz/ggk6+kGQMQFm4GMDQ3xM/+4ndv07/Vj8CoJK/d3w1QBaW97+mKzq+S2jKP2eGhj6+p/a9Aqu7v/BE873swai/K0otQAkPFsC9h8U/6QD/v2SEsD8ji/q/o45vvymdM0DRtHa+gLXUvnI9SkAyKw8/oPkCQLMdXMBA/KM+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2bbf0920210666aa378bf80f91b18316
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Dpvbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rtZZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UKbRPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eAt0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6DB/vyBGtD92Mvi+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIjjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ZGJcP1c+Lb6697Y9Vb2Jvkotkr87R4++jKWpv/sEQr5CuUK/XqJQPkNulD+/OOY+ZjqLvx+diD/5y6m+ZTdMPOWYnD8im8M/Lu3nvw6dDUDELBW/FzhOP+LiAUC8kSw+V+D8Px9zIr/CfVM/4/57PVTk7r+xKYS/iygMwP0DAb9Vsqq/q7sLQGpud75L0wm/Y8ouv5Dh9b/cCFo/oFi+v1bbwb8RQZg/FIPZv7r1PUDs3Jo9VXEaQJnchr8g/py/wx4xwHe6BUAj5GG/exsxQLLIKj/Agi2/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4cb551c5b29a24ea511184339f9b9672
username: gastegger
key_value_pairs: {}
data:
  {"energy": "p9QJxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/WeFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "91u7vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "e2Rzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0SKbvUTAeb9MGo8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJDjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "qd2APi5Vuj6RhXY+yHSIvyHNv75GqQg/QQSav8sGPb/tjF+/jxDnPN0Qn70HZJu/fAoevlCRtz86zru/+ME6PTUr4T+HmwW+GqHGvs4dC0ArUBfAa025P0SdvT3a+o0/mDUXQM772D7V4hs/EWUwP/ZuJ78TLu6/18fLP7MGqb9V9bo/QNLxv1G7iD59NFw/1pwMPy1YAsC8OMk/yItkv269zL9MS7Y/BLSvPxijLj8pIQJAUjc0P/M5RcD1DO0/y1zAv4PzGsA0s4Q/EYKjvw+ysL+QhRtA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f41563386b26ce8fdb7dca2f00b9a8a2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jZMFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Bi6Hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sg5HvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YJhcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cXKbP060676X/xC8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKDjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "LRREP6LAJL5ycaI+m+M+vmDghT9LsJ4+4lGaP5sZmz/f9zO+/z7sviH8uT+iqKM/UZzqPjMflr+jsRO/VyDIP5A517/YWKi/BRGpPxuaqD+Xt5+/fJUBQNLoZr9jbPe/7Q4VQNPZBsANbye/j96cP40RGb/GJtU/oGrGP2EOKT7Q5SJAIM6VP47mHcCj9/q/LLyXv/4Giz+23Cq/eRj0PxCn3z+9x+c+y70LwOXlJz6YhhK/82ubP++X2b9cfuc/VmkDwKBaBb9h45A+bZRFwKQvCz5goKy/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2bb6a75718221b0dc021659538eb1606
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QRLkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3GNpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HhsBvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FB1Jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hbH1PjV7kD7nxky/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKjjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "dBEOP6ReX75cirq9XYNPv2Ak8D7JEw0+F7gBPsbuxr64Lsm/FzKXv6xmPj73LaO/w1ejP+4rAT+2y5+/L/I/v3/Ewj85M+A+fS/cvzXLib6gCo0/pE5VPvbooL+0zw3A3xEPQHXL6zwYFLi/6saZP7ucjb9nnE0/BJsCwLZDJD71fgtA8ZXgP2di678Fmco/hqSkP/t39D/DHsG/2MIEwLoQoL8URDg/ASC7v5yIfD8q1eq/5ecPQNk0H8DL8BBA08qzPundEkBnp8m/GrjjP/UbG0CfHUm/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2f58fd1f6676ef0a5c54dc596df0f4de
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VgbJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Y7ROvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ApqIPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "o8dfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QDD3vuS9qj4RAce+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALDjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "FmiOPwgGFL7VrqK9Fas1PpF+Jz7+s44/UhqFPtOdPj+hFIO/3uANP3YJs7/pCzW//qQMQPuN/r11NOM8C7E7vtpZDb+hiN2/Npoavwurlj8H4VE++tgDv98/lL9unas/azGhv5kwP79+HeS/ktyevtsf+r+J6ZI+sLB/PnmSLb/Ghy7AVrUaP93PJD+lgf8/kKbXv5oifz80L+49ubsoPziWxz+zu9C/CUWnvsx3H0AC9CM/8VI8v3vhO8D1v+M9gScvv238RkCCNuW7y/aOv7G0sr/GTw1A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e013c53c8ef53414930fc42f0a620410
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vpjbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iEdivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "n3Z4PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8s5xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nntHP+PfB78PYmc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALjjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "HQMjP6myjL5NjV+8wuflvrYzq7/Mq0u+qvP3PUv2UT+Y+3K/zSzVv1qpHr96rL2+dTC0vz41OD/aj0q/ojWHP1W6uT3F/rM/V5cDQLnPPL+Vr1y+/ycKQOLP2789ofO+QS8RQDvs2r4MN5U/+KhMQIFpD79ZS9o/TVz4PqHu6D9oeza/UBkcP7D0Kz9LuAxAEWjSPrOqEz8F5vy/pUwNvx6VAMBYHCg/OhZwvoZa+L+nXIy/5f76v/1l0D+p+/c9a1f4vwGzaD88ON2/TCbWv1fGrz8pr4A/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c93170a59111dfc7c52572e802c1e60a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ysz0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uDtLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uDwWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iqwlvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "m1qKv2g/8r6U3he+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMjjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "bJ0bP734zLyQsDc+Ly4CvyM+r75XXhS/NTSwvy/nIj+/aBG/b30xv+VDzr9kQq2/skFTv2i20T9ikV4+6RuCPeG01r9pSAnAZ9/LPv5KoT+/XDE/qGTeP5lgUL9mQ9I+ZgbTP0aV57+kBTq9fForQB3Z3L4LCIg/wx2RPxgm3T8ANKk/BVnBvzJzNUDcC7g+5xYLv/1KM8CLxgC/GX3Vv/EKwr/Jrey/lI6kv8PxNMD/hEI+6uYjv8wJacA3U4i/qjQgwAyxLkDiZlA+S4Kov36qVUCHMps/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 757173c221f4b0d39143bde66e10ca33
username: gastegger
key_value_pairs: {}
data:
  {"energy": "s5fbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wptmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wocSvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "avlBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Hopyv1u2lj1y3Mm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOjjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "LA6WPplzWj7GRMG9c+VYv9lqAD4BaZC/oR9Gv4j31z38/og/5Y9VPwQ1kb+PC+s+otXzv0dJZzzqBqA8Yk6JvqMcnb9Yybo/dLCaPS+9oL9MXxpAcvSiP6Pqqj/c+U2+6TdbP7jG+r/CSIO+7MxZv+COWj+RJ+4/5D5yv+jhiT/IQda/O9Azv0sTdL+3TQHArr8nwM7UVj83URY9xmTpPyOXfb8jNWc/vaobwJvwcL+511Q9CBueP6B09T8OTJO/S6kDQDI/0D+l/ys/7mbAvwa6g79EJiPA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9c9f2b7e683092d453384fa58503f2dc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Qpbbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Qxtgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UFWBPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9mKQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "F9S3PODzAz55Br2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APjjRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "TGaKP2D8jD6mgC29wpmLvOZj377VtFO/OKmPPnuvyzyfkJ0/JwAfv1h7aL9pxPQ+pcCuv7dqxT10LK++i3SzvwK3rD9p/pg+6Wtyv+fj7r8GY1w/JyIaPv5hl79Q/Py/JG8Vv20clT/SkL0/v2IQwGWjLL6uK2a/Ql1DvPMcBUDdQtM/T03WPMkkG78gRi/AWDOaPzIErD+NLYS+ij6dvz+fdD9E+BVAq+kaQIxx3r4KRMG8aAETQB3Kvr+Ik2s+jV45QLRiwL4974C/CHFFQG90vzy+vjY/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bd04893daed3708c826fe8b2e92e6016
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2Jfbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+N2Evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AS8zvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MPBcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1q2uPtI1g77ZmYI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "HI+ZPs3eVb3K08K99g4Dv3fbmD+HmnA+pPAZvm7Bg78Z/5O/TKBIP5ROoz9J3Oe+j1AXP28Suj8vT7i/mRPgv0htvz9+OQW/33MEvydOwz/coaI/zTyFPzCZIL/HaIo/jWPmv2hfzD+ILN2/UhRUv2jiD78+Wu+/DhAqwLlw0T9a/tM95NW1PxlYCD61wuE/cVLwPmPO4r9xrds//4/dP0c49r+daYc/l8bbPx9YIsC8VCQ+NrMmv44A8b8nFzG/EIw3P+1es783+dq/gnUlQGwVBcATYts/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8380b61d471b42fd4eecdcea31ef7a9e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ygTJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hnR4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DTN0PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pcCavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0NA/vbDmOD+DNNO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAjkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "WY1VPzNprzwy3Qe+DlsqvpawaD/5Mli/J7q2vyXodT+HcBU7Kji6v2w5oz5iW66/tQkgPkpECr+dy4s/Hxb6P9IbKL++blS/UTphPqsh5j8Lxqq/4A+Zv9DVBD0iz5Y/NGH7v1s+8T/w/zc+uR0OQMYP8T4U26U9b0oZQNXqqD8AVOe+3laAv1UzrL+6hlI/ec4CQCVd/75vWfO/AQBEPxSxVr+3bfg/W3vbv4GHUT5IcgdAFQEUQCuJz78xWPe+TtDGvyYeQr8Y/LO/4h/6vxk5XT888gnA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8ea2e5b698d20c3debc41b956451cca7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wSrVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2c+Cvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DI99PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uoGivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3jwVPnyb7j5WfTa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABjkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAkAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "AyVvPg7n276P7g6/BdBxv/aNkj3K/a2/aTY5Pk3OK76iF28/WziFvznHlD/gwaS/bu9xP2idz7+lv4q/ePfHP8T4kr6/aZe/0KcQP1LWBcBWZ/6/v9u3PxstE8AuGMm+XnNUvwHWRb45xxrAjS29PyTIiz2vigjAxQ5Iv3cnBL8AVak/uLkHwIom+b5Q1WO/hvR2P7cCP78ZHbc/MSDAPmFEpj94QqY/yArZvoBb9T93P1w/LIqqPxEt0z9hC2M/cDq2Po2QsT+/4i1ApZr+PiuFE0Dq2z1A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9585f2a8cc984f7d38347617526bdf11
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ainuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zXeAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "L8EpvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Tn9Wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6iEyvzYCOT+yEWg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACDkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "+RSYPtWkxj5+3hE+VrpXv7oXBT7QCVi/5UoFv6O3DT8ga+e/F5lAPWqFz723N8g/wDxkP28H1z8B2lE9xR7UP9p6Bz9zeL6+vM3pP/S16T7Krbi/oRIfQFgPij6FiI4+q80FwAEcLD/BnaG+sn6jvg8zkb/vaMQ/9YN6v83Sr7/Rf4q//AJCv8hw/z7xMwBABrb6v74l0z/gx5e9Zth4vllc/78C/ua/3es0wD6aIz8vq4G/O6mbPwgCir1ZAxdA2UDqv16M7L+NXwu/zUCbP1WuPT8JHjhA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6006c774d93c638cf52f66a655f9c554
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TKL2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LeyBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Olj/vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "U+1jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HuH0vmcsgj8IPRu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACjkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "EfsSP2HZX76o6jc/bohDvwhFCD8AUrY+6WpjvnSHwr+/UXg/8WXFv5O8Sb9LRA0/3419vtbPKD8tL46/m9QBwGNPmL9wJ66+eHd+P9n/M77HmDq/liOrv/wr0D+qVX0/kgJFP8ua2z8fOKq/r9Rpv2vsrT4YFPW/O7B0vpua5b9VygFAETNDPt3oKMDzT3Y+aIERwAVGNb8Hxa0/lLqtP9wE0j2dl7M/RYM2v8gOF0B2kHg/A7DkP8gChT/PXGa/7BInPy1xE8DCuAq/+dlGP7LfLkCm2tq/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a1690c8e6182a60bb33471f05e6ac645
username: gastegger
key_value_pairs: {}
data:
  {"energy": "35nbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+ztrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YcH9OQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3Lprvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0GE+vKytWL4BMIq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADDkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "XVwgP/U/nr0FNIi+wz0hvxeGk76VDI6/3p/VPs/u3T4+X4U/CQyEP1bvL77HMQVA+EbTPyVyhL8iV+I/fr+jPxiPdL+x6mq+5ftnP/OxTD7SXE1A/juFP/qEdj/DJqq/eYkCwCR4Er4eLiG/al0NwFwlW71UN+A+sVfFv+PBu7+pnZe/DnwQuy690j7pWw/AYpgWv30ljz9FDSvACzkuwPrq3z4fC5+/D6BYP6ZE/T+yrHe/vj2xvyGEEsDnyfy+6cUDQLkmZz9igty/flvxvzUn4r//yArA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4560a6ecfe39d98d48a033a835451738
username: gastegger
key_value_pairs: {}
data:
  {"energy": "d/Ktww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NnJdvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "O8eAvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "T1lNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OdEuPQbYpz6KPIk9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEDkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "5OM6P94ypDxYMeU9kVYNv1G7XL8QpaY9o/jHPlKtgz/QkmW/ydHUv6tWWz53IlC+s+DRPx0nkz45X4+/A27VP14Fyr7M1Pu/ZYWkP1fawD7B47w/U4xov7umjT8HQZi/bJ/6v2obOj+Qbzk/wI0BvxMbxL/EAkm/Xo0kwN7uYL4omiG/r1dFv4Ss2b/DZZg/cQuuv6hgxD/cAgXATpEmQD58PD8pWmO/SNJqv/E8k78U0Ps/JWYBP+p/RD+/AglAheLcP88qAL8k9Po/wn4DQHsgkz9OSbM/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d09b8eae6cf0367e0d1648bf08d8d8c4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Gpbbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0Jl0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iWEHvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bsFSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "F0iAvh8uOT0bTFM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEjkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "1MdiP5DKXD5fO3A9kFIGvjrHGj+TvJc/+lAPv+gcXr89r5E/ESXfPgxam7+5MgA91Kl9P9sygT/1UZu/QJmDv1/ro79g5Uq+ZbTxP/7Fez5JPAI/W78qv2/XvL+2GQJAOIypP7nOA0By5IS/tFHsv7mt4b5OaJO/C1RFPzDOGT9D2xTAN4Hav4stIj9OSYO/5W1mv2PUqj8brms/4JTMv6CrL79n6wvA8ws6wKcKKL/YwHy/cnjWPjLkhz8FARlAYWamv29aFcBxXXu+WjSGPzXozz6hpy1A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 315023342bf9bba31c2b00bbdedd7413
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lZMFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "E9WDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "IjhuvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HhxMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uOT4vePHmL5/h2K/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFDkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "faYBP/mzyz4Sy8m9FQp+vzOGKz/kKM++CXN4v36kKb4Ps8m/I+X0Pu1vhb5Y/MK/RGJFP1XED79HJIY//NAvPjEqvr92yIs/SCXSP7Wxpr4wMO0/DzUEwPXdbD4efRA/MvJCwJcGYDySF7Y9QoxuP/y46T4wDw7A8QWSvxb03T8mECa/iLN9P+xt1L/sKOS/eZ+oP8HgwT9eDdI85d/sP7AArz+qbVM/3Ofxv1Ml6D21OeA/EI8DPzQ/GcBPp5C/ULsEQFQ82b/BbNC/rGlJP5QB+b8gWjTA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c0838032a8e5d832b3a2bcd7a9be7f02
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+pbbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NC93vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7X8AvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OQ9Xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EeSQvnzynD9M/RQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGjkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "t0xjPVOgFD2Xl5S9ava8v5o8uz7+CXq+reELPqtLnz8tdGY/PEPBPvUBpb8uNRM/nWyKvoE1yb8Jk7Y/uzFhP5m/dT7p46u/PiiiP3dYAcABg0g+AdsMwNRrzb7vWhk9iOEjPwCAmz+w+OO/TYKnvw4gxT8pWTc/BndTv+RJeT+SCwBAujoYP4o+PL+VBxXAhY0+v7Ns3z9WbCpA41b5P1RfeT4wk4q/vvPpv25dH0AdwjE/+QF8P1O+8z9t9IQ/yhbVv5blLj9AzaK/zux7P76Vx7+HtwDA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cfef9c6aa3b01f01339da4ed88d08a5d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gAnJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6UVdvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yZMkPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Jo9nvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wJXsvQM+Pz5ma/2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHDkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "tNT0PqrNV77WOSw+PJtAv0Pt+z4joIe+VR/pPZLry7/h4QM/aLgCPyx7HL+Rkss/VAe0vwqC2L9ma7A+cke+P0liT78ineg/ku/nv0FEnr6Qtya+GmCsvhAe6D9fT1a/IlnXv6gKHsCOx8G+8U/yvxA8+b/MjqU/AlmcP2691z/Q+la/22PIPx42pT64LQC/lMNAP/fYHMA3468+Dpg1wBXtgb0dqdO+bHInvxxTKkD5LWS+BN/VPxAxF0DCZtS9J/HUP11v8j9Wb+i/56M7vyCa/D/I9Ou/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f21d13a9fbd5e4b23059a8a66a22af89
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6d4OxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IsKHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mWGjOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qE+Kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Imy8P4ofGz+P3yO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJDkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "dSi7PV+LpL69eLQ9I2Nev1z1j76taqU/Hz36vxSXbj70Lp4/C+7Jvn1CYb/vARlA54z+PomPmb/kEApAox8CvwCdjb+38oy/MzaiPoEVij9CZwa/NqHJv18Ypr/0lXi/WYT7PNSTA8BTYJm/46mxvngDm75TeBHAKYarP8iaZL/9cfI+zF4bv84i1D+iONi+hSYUP+UEOj8WU/+/m/T4PzkoFr5jjh0/eTCzP3lI1z/lGCc+rozTP+voH0Aas42+IdXPP6QIyj7QDwfAZmfHPniHxj+5/ivA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d730b14de4755e4ed89b1d094498b656
username: gastegger
key_value_pairs: {}
data:
  {"energy": "v5zbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xVV1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ytf2uw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Cp9tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8Nx7vjSFpj+Yo0e/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKDkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "R3WjP2EEHb6lwWw+IeTgPqphob9Bj+Q+9b43PwGnjz/M1VC+cQejP/TZdT/2eJY/EeNbvxwmlr+50ay+O6O8v4+Dkj3cLo27WpxHv4EknD+hcPq+Jh2sPzfD0T/wrm2/+x+HvyyEuz9hw/y/a5jEv20B+79Okxu8Akgvv0kso7+ifbW/O2w4PxGsCcDgEps/y74dv/AxMD/82ibAUgeav+82A0C+ea89MnERP9u8ZT/B+f8/IKcPQGpQsD/SULY/D4Ehv/kqG0AdNBLAHYIIwJ2+vj+4wAnA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e7550366dc5cd656762729207bd4829b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wJfbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tteCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0o2wPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "k+CNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1lZsPf4mxL5v2G6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALjkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "pNMaP2N3jb4NjkO75OIEv5pbor9e/XE+mAGZv3g6Ub9vK4e/NPmxvVBpVT6hL6m/Tmftv4AlDb/T5YU+j07Ovr/HEMC4SCY/Vonev/2D0b8rvQHACJciwHqFnL/aUhfAMtD3v3sb5z6eois/Z+ZBP+RxLz8Nb4Q/OCXIP/47RL+59ky+CyoswPSjmr+7/vU+jhrEvulnoT8MVqy/QzT4P6TGqT+wd48/2XgtQK7Daz8lEOc+hGEFQB9AEkBsC/c/m8AAPw1X8bwbXg3AlZhCQJBeKEAuAvE/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 78d9e774b8a12e623bb97b59ff7db1e3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Caj2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uMgtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6uljPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MsNmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HPD5PQxZTb8bEic/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMjkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "K06IPw3Kbjx0j329C3+KPjtn4r0jHI4/WI4SP4RFG79rA5K/gGREv/ernb9AIFW/GSGPPzTyI7/5sBvA0DoDQCtdeb5hJR3AgJtrv5l/cr87uS0/UkmSPzykyb/T5zTALr0NQC4fPz+MjOu74iQnv7wifj+2Frs/odPqv5P0UT7UwJA/W5K8v2yyrT+uC7Q+R1jJv8KER786VLa/WuU0wIe7Kz4QD8g/5f0lQLUZIT9cgV8/QIhGvwXJE8ACd4W/mNyBv+sY7L/AgKU/8dLZvlrV3z9h7AxA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a3304c3dedcfb21f5778da043e90b4de
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Oh3Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JO9Mvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fZK7PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dGFkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0SJbPWwhqD6H+fI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANDkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "354UP52sHb6UNou+KKIOv/t8d78zOFW/K/qNvQVjZT9L6BM/atDnvwUgrL4rMbW+YSivv3qC1L/jwkU+UZe0v9yyUD/Q7f8+TBMHwCz9uD9gaIQ/w4n4P6ZNML+UsIi83D/yv/mVGcC2pYy+DnbZPz6kMz4MEZe//YAtwM15nL6EZ3W/8ycBQNCojz9MGHy/BWU3P+wB6z9/PZ8/6VLivt2Osr8GOem/BcoJQI9G3b+Gsny+u4zDPxvHuD9rOdo/AOcgQDUQmb52ilI//b5KPpNeGkDOXvI/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3f4748347d878b5ed7d78b836b689e29
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VgfJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RwRDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WRYMPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3Qlmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4QuTvCGTgD+Do7Q+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANjkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "WLe0Ppa2H791LCE+7uo4v6jzPb72+o0/5cCqv1GgeD9f86s+EFtZvxjahz8ZRGu/i6UlPrX21Lr5kpm/7ZIUwD6D3j+893A/2aUNwOfr7j8P+fc//lGRv/AE6T8ppdG/dpa6v+Kwe7+i+KM/54EhwC1MJ0DXjPU+H3W+PyolHz6j5Oy+UO/jPWEEGL/EIQfAkvuGPxKw7b+QkzQ+1cCsvlkY8T3GxwVA35UNQHtfmL/6IdW+JvAfQHku07+RPK+/F8RDQL5Bm7+uvI0+cRT1P7/Ejj8PV0y+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eaf0c902fb2b6368a833c5d78fb493fe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LrL2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8iJzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lPqyOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "x7p4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "K6R0PxuBuD2/K4I+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AODkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "iOaqP9w0hz66zYE98doOPzXEPT96BpQ/ExoVPjYP1D9woYo/JZNUP3DBYb8HY02/xy1XPxFLBz/eiaq/k/sgv4JJn7+0JC2/gIEVPyvxCz5CqxhA8Fv7uu3pLz+yXUhAz+z4vv7hfz+Vs7i/60ixv4KhAT2i5YW/lMvFP0egz7/pW5G/20ScP20lc7/s7iVADe2MPxfln79CqmNAPk2+PwXRZz/6TwfA5nsaQD6Djz73aU8+RWZtv45tx7/5Gqc+ttQjwA7QeD67yIG/Brlqvw5oAsA0lq+/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 79a1f2b61d62a0d444ba02bab4f7b40e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "J5b4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Ek2Avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RIlWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0/dKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Gvpfv+zdPz8VHRm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOjkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "3JwYP/Gx5r7udeq+PNgwv20PYL/UNIA+BYZGv8iw+79srD0+h8Xzvz3CRr4K9wG+5PVev2qArb6mutg/lvYJwDiqqD6qEpk/y72MvpsS074cDC5AZ30IPxVkNj+isK+/RjIKwBtttj9qiZ0/ojJFwNknZr09vNE/kxzkvm9vkj8DCcS/UODCPzWlOz906SHAv/HeP27I0j9IpbC/+xEiQElssj+d8C6/oWfOPzHKiL+h9Fy+jr4KQJVWCb5j7SbAIczEP/sVLUChgr+/IvyUP4fokT9z713A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d748ecc382f81978e541f8e9effcc7f0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uJbbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "n3GBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6C/0uw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "v0F7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PQoPP1gcTj3+mky/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APDkRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "RQR0P2Evar4NSes8gtBYvqcolD4OkWW/LhkJPkIEy79ArpI82/nfPvORmT7Whq0/cK2Gv0hkFb+3pLY9Zb1KPpMkBcBcg3W/8cIUvrHxJr4QCfK/POD5vsZZ4j8nOIa/N754PuH0H8A4e4g/KgpTv2Ugwz1RDrU/QpMFwA0LX7/XY6+9grt0P2lCR8CEH14/SR0kv8VRD0DE44+9VtiAP8jdRj9ddQlAKEgAQHLaGb5+sHa+kjy1v6UW8z80TtC/E6ogPzhDFUCwld2/whDyPuOhUUC0Ceu/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6c8db35dbb2f8edf8efce8c3a358a795
username: gastegger
key_value_pairs: {}
data:
  {"energy": "P6r2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ePJpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tONGPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "stWNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5CwEv5Hygz/witC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "pFmmP/fenL0uq669S6DlPg7EdT9Ocei+L8clP6YBZL/Z8U0/M3oeQF2Qrr78EOe+0N5FQA2TDD+EQrW/uQscQAZURz+EchHAqtMjv53exr4boo0/MPt/QNj4rz1Uh+e/kB1ZQIjSwD9ESXa/Y8xLv9AwcD9JxYs++Gjkv3cqfb8R8Ys+oIb6v7wfhj7an/e+j5FaP8n+6T8vaUK/y4GDv/Dx7z9D6kg/RqgTwBr24j73HL+/HRM6wDz8B76/ZwI/8WH7v8R/AcBGDww89MBJv6g9vr4M+AtA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d72f3fe205206bc360f465efdd3dfb52
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SwzJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "w517vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "S6/Nuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "STB1vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "geyVPiy3vD/jUwC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABDlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "rV91Pywd2j2Cys494UL6vRWvbr9rFG0+V+q1v1qqm77r2II+v5qdv6Iijj/LKAu+XHR0PuSCtT+zAzO+o3Lnv2GrGz7OTY2/33lqPwD9mj/xwJI/9gfyv9Fw6D97sbk+DB8ZPZ7xB8CGEYQ+BKuYv8UaN76G3/e/XRY4wHj1ET5Gj6W/5K8hPwsiCUDFImG/og0RQJb3qb5oswG/YTScPuZ1ij/3JgJAzuIHQLlYOb/TR8K/88ztP2Ml3D/CrKg/MV8tQBS3kL8rU8I9zH4+QP3O/j5glQ6/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3b461f5ff8dc5bcf2bdd2a7ba29e6bb3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PJv4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "n3aIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TMYxvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "q3tkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "bxKHP8lxhz7f4OM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABjlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Ev86PzKpAr7aNiq9maLvvs1m6T45WlK/P0zDv21sKD/oSG88u3OVv/Howj70Y60/7vn9vnnKPD/Mvv2/RCiLPoG5Ib2JkLQ/6I5cP8JRz78zZL6+ZGHjvMT/E8DzU0m/gtsBQO4eGj/r3cm+jkogvsbCpz+hd/o/5IvvPwBIAsD1BB2+AqoaPyvCS7+oLgdAnlT8v/xOlb2JjfU/UbEAQBDO0D9zz/a8bFMKQPIfID/hS72/AamoPSqaDUCYmbM/Sek4QHBGyz1mEWw9ro0Xvl1Mtj9TOEJA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1eaecc44ad9709f745ce521a0e3e8d05
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yPDlww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OfIQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CD4GvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bsXevQ==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TijUPn2zTb6cFlQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACjlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "VXQeP+9U5r5+sfs+YLfjvnMQsr7XicQ/XX33PckVnr87hzC/i8fCP1+tbb9IimI/ClZnPyUmOT+g1e2+l36lvnKZxT9Jt1u/hMpVv2sfiz9eVgPAaAvrP4pooj/s8a6+eRvkv9HXuD/OKBzAqKNVv+F/C0DT4xa+NuS2vyqGg702QZU/XiUOvpTrzbxkoDHA+TiuvlMXir++XTNAT5oAP2U3ob636cS/i5dsvF/Rnz5TTi5AOkIAP6id379tTD5AJ6Gfv1+lqL9WrFZAonDaPjQzhT6/jGrA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 52d88f15b2c356e9bf88d4824c954c03
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iaHbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "m3J1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dF7jPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ne+Ivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9nqHvl9ekL6Do2w/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADjlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "dFwAP6wzjD527+i9B9Iyv00PyD74xIK/MwGHvWdYhD1eLqQ/gxATP4sKi7+8IRU/SYzovzlCQj4pp32+Fq3Kv+s1KT5jJZg/HyzhPiFw6j4A/QlAqZjeP21Fhj8ivvO+6u91vbHW8b9ZylI+7w7mP2kvv7/Cu44/0MwUQAl+8L/cTdA+i3UFwGEVML/BjdQ/s0z5v/5Sij8oKdY/yXkwv3FzHT/Wxw3AY/3MP1zEB0BXkJ6+NPwuwGW+iT5c/ie/yin7PxO5Zz8mxsS/oPUlQDKPNz/49PE9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a53eea31df385dcfc3032ef133578de3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IArJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zQGKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0AoMPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "J4Obvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ARNIP2aI1z/8jBM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEDlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ZDyHP8hcjD6eUIk+4jepvF+0yj4t1LQ/ggPRPRCGfz+xji6/JQtmv2fMmT/T0uY+HITlviqfDL8ryeA/hQCsPrfbdz9RUBFA0T2iv3CRtj5ZGj+/4PG8v19QBUDz4TI/RDSxP/Q5gr85dkW+SWnvP+z9vb/J2f0+oQQUQAXXiz/4hA0/tZrRPn701j9fx7u/YV4EQIqhB0CQ0VY/DdY8QHADjz9Dnqu+dn04QJztIz8Kpa8/1ZbFvwkEh78A7Ce/w2Drv/L+CsCQbRi/yY72vxBLXD80X7m/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4062db1b7014512e69b2b919e8573c52
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qpjbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OfBqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lPqSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wjaavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0LjAvsLAcz60cYS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEjlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "+BmKPzH9Gr3wobM+YU65vTJiib8oARE/yKyCPuyvfj/pBZE/i4yXPzFgRz4RzoW/uJJXv6U6jTxxS6s/NvxmPlg7BECKvno/hDg9PWxhxT6/CB5Am7oEQIzWgr6KKz4/xNH0v1FOMj53zbE/Gn4PuzC4WL5dQdm/4pATv2TWrb9rxVu/ZeB2v6LBUT+XtOC/cAkOv2kuyT+7mwzA5n/mvrpEiT/iWEJAQ/eYPt+zAr8YXi3ABOLUv2Gus7+6r3O/UeMmvjifE8CD65q/4ocCPrvc/L8q9JE/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b1164d892e9c34bb2bc607ec5fcbfc79
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iZMFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yeiAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KgNHvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yBBQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "v31Nv6Hzyj6h+Im/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFDlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Mw43PwGhVj5DJOK91vTlvhq5TL+Pp/u+/HeQv3vJuz4xTaK//LB/vuNQrj++ge++06dHv7pq2z+ZL9k+JSzFPm34GUAqnJS/UkuivxZrn79GmjU/biFSv0/Ysj5LThTAOpzuv3D7+b5rsLc/bQijv1wOFsCKXVw/hU7KvSGv/L9dPpW//LJVvs5jSkAWd5m/F60NwBjd5j698Ji/r73iPk5E4L/aDPe/jEa/P1VrAj6y7V+/aMitP4GXKj4K558/g0kvPxM22D7SIwZAM+cgQEex+r0W8Lc/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 22aca7eeec309f6ccb508dbd0df7a2c1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Kaz2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VOSAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WaX0vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/TNjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xm0Ev8uhTT9rmh+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFjlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "6lygPsi25T0CcDs+nKs6v7Tsiz+D52a+YiuBvuLnob9chGO8t9jFv1MClL84+VO/9Wrsv9tQqT57+lq/cjGgPyc0qT7FpKY/NqrlP93ymT6gSNS8YXIAwAMMZz9Xbv0+YcKyP6xND7931OM/CqGCPhOBEcATdNc+PjjgvlPuBEC/DRO/7wKvvzEix79Foeq/TaUjwH/c4D+FG+Q+sicXQF7SEL894La+I2wVwPCC4L+W9rq+VkgawAHFQD8ZBNe/mIITQDOLvj/CiwS//1gOQADJCECuVkU+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e02ad63428d2a42ff7eda30ee952df75
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rZXbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wQJYvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7Uh1PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fqqKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "P5HXvuUKdz+D+ra+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHDlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "25ItPwXjRb0I9v69Yz4Av8oJvL58bCw/7rhBPygHcL+ZAII/c6c0P9yusT8YoN8+N+kCP5RpNb/C7bq/CBcWv2VghD+34aQ/bufzPuQPFECpnBm/C9LMP1Hs0D8wAoM/PLy3vza+zj+gj2s/F8jcPiCUTEAHEGG+9Lohv0Ud4L/xdpK/7gAHv6F2iz+HIRhAHsK0v53GoL8Gyfg8OQamv0KE9r8sAP+/cPIyvosBLcBn6F6/vgk+PvkoPj3btwvA9yOzP7wumr8/EO6/hJ4OwKsfPL/JxIu+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f1a208bc2ce198263d88402e40258bdf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ngysww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gUJtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JQSrPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SmKhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+WYjP3juBb82q/69", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIjlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "P2BbP0firL6gzAW/x9B0vjnGTb8CpME+5cmCP7Fmm77mom8/Lf/8PoGbgT9ZpJC/7uPzP7cgqb/uyb4/K8qqv2vAYj4Fjq8+/ZNmv7eBpz+SnxO/MywAwLZN0j6w0XS/e4/Wv26/k76nl8+/oJSYvzzeFUAQWNa+kmv9Po5Oej/tdg7AkhjvP6UqEsDQG3Q/Kuw7QNThdL/QXbs/OEbRP1FIwL+MOyJAcBu6P8SOhr9Fvoq/WZLxvr8l7r9j1fs+EC35v9s4yz6tZpw/FG6aP3545D/HxlK/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 241cd69e472d0a65ab959103e2397a53
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3Z0GxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VFR9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "t2EUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5jtYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "z06Ov35vk76RD/o9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJDlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAJAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "VPhvP0JRkb4UHQo7Z/HwPQb3m78dfRK/XvSVv4rtSr+VS4K/jAGBPgqxXj+dCh4/GXWJvw57eT9QhDI/eVkMQCfu0b4bT6I9M/o1QINOyL//YAK/flaHP5BI5T/TnpE/ilpHQHUlEcAiEJM+kQv6v6Rypb1OoKY9HHzDv+SB6D9H3Jo/kKGJv9ns2r1LJe+/3X0QwKZLT79liFk/kh8PQJpiBsBnoJ+/5wHYv0XY2L8xu6y/7zxGwLIb7T4YKxC/S8pxQCKLnr9Mc3m/bEFtwFkNST9vxdw9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: de67a40dedc4761d0f0765035272722a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cZfbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cCh8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "b4QFvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VMdavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "M+EXv4wQjj4VjIY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJjlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "T5BNPxKgtz4s/mI+qI0BvzCBqr4CXnO+sUhXPlfQrT6Vi9Q/uCNfvxZAML/pMpo/K5WzvyU3DD7OYam/+U47v7nXlb+PLbK/su6HPdNikr9ebgHA79uJP8Ar2D/4W9W+1QrVPkLqIEB2EHa9XbLzv+if776h58A/Xj/VP52Emb4YbMk9OfuGv2J4cT8GXfu/d+zyP7js8D8Q4KO/WoYHv5P+AcD31rs/eH0xv1pFDcBnlRlAq8YewDrDuD397pi/KShhvlMopz8CVvg/1t5gP1V+vbux1xxA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 343fbe1eb68e283d179e3a56a9e1e5b1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6yHHww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/Bhzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oZ3Tuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "D3xsvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "umbmv80eML8X2W4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKDlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "S6KPP9y4ED7HTiK+V+K0PlJnLb/MwS0/hHodv6uZSL8rYtM+PkQ8PwWWn78HW+8/wL/LPmXdDD8izLi/rHwUQBG+BD9MW5o8K5ezvYsH5786KRVA4QP0P2aRkb9tXxdARy4sQL2KBz4ummM/QCKHv00MIj8P86y//xAsPw/uM76aHw7Awdb7P+oT0r/1w09APWtUP6arwD8CTOC/jHUQwHfPLj/gxKG/D1dtwI6LRz9KuZa/RzWBwG2laD+RTBG+vzSGwHzP8r3dScm/yHOCwCFm0T/7JOC/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7a8ed84d81f38876f9a9ad3b12f7736b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tAysww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H7lVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZAV/PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PL2Kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MuYGP+GXyr6lLOM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALDlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "I7kQP6SSfL/5kVK+zT1Iv/a8Rb84bQ4/3gOUvqoPib+o4b+/pS2+vz0yIL+Q1T2/kbaPv6UV0L8T1ZM/mPsovzi4Aj85gLQ/K/cmP+QQlD+S0X0/RYOwP4msiT4EvSI93Ao5P+9uwD8IbeG+GXK2PwdtDkBMgRS/8l7Su9GYxb7idBPAiEi1vi3BBcAoKPO/uKkdQKefXz4khOQ831DCv2x0lT/rA58/7niRPw798L8GPjE9pcQev25+hz6CjR5AeSUTwL06nL/RGFm/EhOYPxzp4z/swtk/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 23d5501a8a806626835d54fb78dce9be
username: gastegger
key_value_pairs: {}
data:
  {"energy": "A5UFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "D5uIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EQAcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GjZqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HOuSP4guGD8EBHs/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALjlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "MtpOP099Vj26w9w+o0PBvl/4Az/a2p4/ekZePzoYhr+fBuo+uV7Nv3NdZ74YB2o/blzdv8mKL7/1Cw1A7FXtvrEMljwoXCxAZSIlwBkXsb+NrClAVQ+nPq2aKb+hDUFA15gMv+TGyj/FY4w/lr0hvw0kRj90dV1AvZwpPyYMBT9GmGO/ZG3dP3pT5j5jtmM/SZTXP4c6xz1+DeG/IYbfP49MgL9UK+i/JEErQI3N6z71ybi/c8+wP3XtIT/2Y0nAsu3LPkWpkj9uU07ACFYIQOJjAj8dioLA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5ee8ac2a75348440183312a43338835a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fAvJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vFpuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "x3+BvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wypevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZycDv87fgL9oIlQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMDlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "k6FpP4uMfb77UX69/kbVvcfAAD95w2G/rfYzPkOIab/xpIs/Z1grPwzF4L+uWy69TzSiv6j0Ab+2FoA/4oslPz0ne7+6MARAEChPvRE/DMDyVTq/coK5v5tgpD7k5mK+M8H2PcdNkj+z5/C/vsnGP2Y6F8DBkvY90w4UQOPMmz5bTMc7zaW5v2kjcT++/5E/qM4awA04kj8YQ7E/DckWwOhXrz66XFC/CIsUQK0apT/E/PU+RyMDwCQ/l7+LPKs/H0c+QD/Ytb4XphM/3EAuQE7D1D6FPIC/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: df505ee3a2c836a83a7d912f897a7297
username: gastegger
key_value_pairs: {}
data:
  {"energy": "j6Lbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "09tvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AFbHPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SmOEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "B1+Yv9Jv774EIdm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AODlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "cm+IP6+HIz5h1LE9cTeQPl7ydr+bOEc+iRZgPdprpD9uZcA+C9IOQKWraD6DN3a+L2yLv5Hs/77SE90+VkZfvweZIT9DM6E/pi1Kv8ZDuD9p8Gu/oPbRv57eCT4kHF+/BHK/v+JyA79ejd6/je8nP3A6EcB0RpW+PZbuPl4BDECSTVE/SkAtwLYZsT7/aka/Vi0pvknrwj/qDui/Kv3av2Bin78mgW0/z2a1vzUXFUAJ0Vq/GVfePwz6EMCvmOK+3SPLPhMCQ8BiDd4+/IgvPv1+IMDorp+/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 832925c96f2dc6f7f61002ce6f19b9de
username: gastegger
key_value_pairs: {}
data:
  {"energy": "k3bTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ajJTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GERkvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZCEavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "A0N2PuIea77BkC0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOjlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "1dYDP4Q/Xz5h4Iq+u8xBv66VRz1HhQE/ShqyPgUFiz8FNrW/1baRv/e6rj9VBH8/gPqlv+04lr9Kiyo/hwRbP+0A0z808DW+XyVavstHEkBQtyc/oUUbv+0tFsBZMxA+QDsDwKycxz/jE8Y/vi1zvteeVUCq5Gc/rfK0P07ze791dtu+xBEjP3y9EcAcKLm+x9MLQDqyf78q47Y+ZwjvP1GCAkCOXGm+xpz5P0aaZb/8drC/gs8OwIvTp79v0Zk/fWWOv/KBU8D/Wkw+Q4WSPxtrS8B+uDC/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3586144e444d3be2450f33066faaf3aa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fLjZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8Nw7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "u5xSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "H4Rwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2c73Pe/+EL8Dz30/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APDlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "y5kpPwxox70wn/s9l0iqvigkU7/ei0g/Ouu9v+kiH7/niqE9HO6lv1QBKD6d23O/M6VRPbhdAj8Cg2+/Oe/5P4eEDr74/Qg/170SQCY8Tz+eTMY/7nfcP/ggIj8oDx5A4PNcvv5brr9sFNA/Z0stwEGYkr824/4+xDsoP9T3sT+8vPy/TDbeP2wKvT9HZum/t64GQNeP6j9yYJo/Z9FWQKLyLT8WluA/+VL3Pqk3fT/pmz7AIcljPjFPGUC+lPm/GGIswKqpCcDYKCA/0/5awFokZ7+Whja+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 88a10d762d3c573a7a41a12ff8ff0751
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rS7uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EOqCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "c75YPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BLCJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "b/BlvrqD2L6r5/S+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APjlRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "cwWmPohyWT7cPXo+qXdLvzdh9L2gj+2+dBLdv8MGdz8GSoW+eHOTPvshnj9E8H4/3MOHv1mi5T/CsFo/zKsrwIi1AD8U/yU83+iCv+hMNkAZgxE/q/zBPyvkKr+qjgQ9JDLrv/pe3z9vXbS/82kPwIB+mz9WvgbArhnMv+bL2z+xOuc/jsHtP06DDr/RcIG/NoeUP5dVAMC1bpg+E24UQLzyob6bYTE/l2IOQM2TOcCGOIo9CPEjQMGpN8B67nq/VLVFQA+eK8BxgTY/awPuP73IecDpJpY+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e414fe53a301e326e1db9c3f1c443feb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hJT4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Hm1svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vJLkvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xtpPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "a2CrPUF9p7/A7CY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAjmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "KTKtP570lL5jITy+dRfbPtqAgb+T81E/Z3PvPrQXVj/hxkK/xHB8v1rbZ795Qj0+G5VyvxA+jj4CWVi/JKzQPrHlu74qNQVAnY49P2AWBMB9DWw/+hJXPzth+D/tZ4e/cZ+lP62IyL6oOB1Acpb/v9owbz8yhio9as+cv9d2gj2SzvC/cKOqv4KE7r+KplW+LmsBwJFWjb3hhWw/cngRQOXhzD09mIs+wS7PP1dPj78AkKe/+lcgwLl/8T+6gB+9evT5P7C++7+Ydn6/E5EjwKKidr7wvuw/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 37bcc31470747d67c02cf25dfcc4832f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+YbAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/FB5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rn5sPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VDiavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "umupvgcItj5kIyg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABDmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Mh5rPwwErj3OgT6+Ml+Cvng0kz4YRZu/uEEFvsj3cr5ssWM/ih7FP3oreT/1t2y7T5Khv6HUBL2xIry9hj3gPwesgb/KevK+hxjEP3ML2r9gSSk+1h2KvyrBZT98X4w/D2ZLvohsDb/+oPS/R2YLwCSmGb+WMFO+zq9NPRkUpr/jheI/BFL2Pn/Fd7+DTCRA73JDv7Aj9z9fXXk/Mlbmv19UPT/8TfI/1qy/vvEvzT+g4fu/Hv/Rvht3HUBc6qS//x31PpqB3z9Z3ijAfm+kv7xC0D851iTA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c0c7d347d68364f74db1fe54808afb83
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BY34ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "L25jvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PBKvvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6ItNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hetBv70YKj8MApc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABjmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ATzHPj3LqD4au0Y+bPNsv7U6Yz/7Zlc/5lCpv+KNAr/WeZw/X8AMwNvzoT733ZU+b6wWwPQPnT1nzEC/knWSvP3TiL/emRU/9BAgPiE3Lb/MrGW/MdlVv1qm/j9pXNY/odEMP2Me8r9dAoA/h+nIPwE7hD/Cg48+tlXMP0mLuD9j2pM/5eDYv4L6XL9ZNAtAKiktvzi5Hb91bcu/CQyxPx6enr/HIsO/Pp57v7UsMkA36ZI/tV9FwD89ND/+NEo/dmAQQNk7rL+ba1i/eTC5P1jDyL+q0CvA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1fa59cc9eb1b81f8123bd6f7b1110c4d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "q5nbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "S5Fsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VtULvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9ptJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lQ7WvLd6Lj7D2GK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACDmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "6AZxP+5U7TzNZW29bcglvhvLBj5gbJq/5EPcvdweNL+bRkk/tl6Wvzg7Kb+UOKa+QuGevziy2L/A+TK/sNlgP+StyT8nF7C898mEvp3Fyz9njnq/n9gtPx+IA0AzCXE/DNwjwPwy272NigK9kFLoP2UK/D8Eety+2wUgwKOjdT8jcEU+fBuSvM/Mo79FMus/bMqhvbBXCUAHPOe/alhAwPKFIL/NKlI/UVpOwIg6cb7KR2S/th8OQCRuAb9eHNq94xcFvJoRU75qzg7AVSMPQOMrp7/sSd0+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 56e8897d6e8716b9cb3119137748fa5c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9KEExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "30+Fvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jncHvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2sFovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XeFNv1YO7T1VMJo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACjmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "pFpnP4GOhT62CCe+MWqgvky0dz/DMP29yLuZvw4+Yj5v414/EaAvvx8tAUAmEjm/hu1eP0Nme79jvx4/ey0DQGHOJz8kdk6/Cz34P+5xzj9eAqy/ge2IPBQeGUCN/a2/FaAev4vtmr/ITl8/b0+IvwJ0Lz8In+0/zQqVv2F5+L83f06+Iq4DwJEXzL/iQq++jzRFQPMIszxs40i/H11Jv3Z63L/DOeo/ZlMjwGQufj5o4O4+31VHwJnzkz49VZ8/yYeoP08s5r/R31E9TIC3PylrXL8NncY/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 841c49aca749d4827efbd894f21e27e2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mZrbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "S1l2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vXMovQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XDxMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Rs5CvBJrEb4k1hK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADDmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "WLr3Pj4yZb4ThQK+KDs/vwnIOT8Vjjy+ijjsvzVea7lnYRw/HJGcvz8ck7+CKJg/xBdLv/YQDz8IZtS/5cEcviLGxL+sOq0+fu0TP8tVKDmTmNW/keEzP0TZZb+WHhLAuVauP45/OT+OFvW/558Kv1ov3z8fmSI+enTWP4JdZT5l5C0/7+4pwGG6lL7Ux5S9CX8DQDkrrz9bYTs/r/1mv0qytT/GvQvAIMoNQNyUFL8FJZ0/Y4YQwNC7Fz+fMLc/PMwEvzaaB8ChZAW/kwkGP77ICsDZQ2w/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f2fb2e4c87d22228d9bd220bc2c77157
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TNQJxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PwKHvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BMdlvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vZJUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "InEHv8FuQD8QI5C/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEDmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "O0YAPwDih7xiobQ+//HZvjWZ7z4J/kC/pnuiPmkLtT/ezic9HwXUvbfW+b7U59I/0T+SPyJd3z9Roey+ew/8v8FsuD7/JVa/EbQawOyM6b662Ia+06ThP+RMLL/y3sC9F4wfwPaJpT9qixy/Npb7P24n1L/Vmbk+bDggQLQKH740oWa/6eNDv7GF7j72kRRAKWVPvGIH0L9/DgJAjoQfv0SYpj+0Lus/huDZvx/VqD0N5BPACm28vmchPT597Q3AMN8XwEZKB768ekjAYWbsPqUOyj328jnA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 79e092261d0c86f765e283b3bb62b502
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TrL2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HQRNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dXayvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TrU2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "i3F+vmg/8r4GL4I/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEjmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "AG8EP1ED2jx8G4g+1/oDv40Q8z121Kw/VFgiv0tjXL8Tceo/6o4RPkIjOTwTcYW/qtZPv9ZRwL2+Jau/9LXuP9RGoL1MI9s+fyfiv8IMDT81PU8/dPY4wG6EsL0+ops/uICnPz/Sab7KQ/G/uqwrwGF4ab82MfY/nmd+wPY5ZT5rylQ/oloZQEiICL1f+K4/OlQeQIEYar4vVWK/tdhrQCEVr77W06O/KZ+3P1ikDT+c5ijAeROfP/CtmL8pmhnA0UxEvvKNVD/0YQdAbU+KQCVNpL6SZva+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: de9b9472e5527493fe062ffd7457d03b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VpHbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7iNnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Qs1QPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "n6uNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GXNHP7k2tL5KB+u8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFDmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "pc+hP2JKOb7Su1g9aPwvPrmWbL+POEK/YGhiPgr51j3dYJk/w/BUv3jYN7+3Xcw+SfqwvNm+lD+Jf6k/M1sAQEXCZr80MN4+DDHxP6nwZD9czhu/gu7qv1IxZbyIFQC/nyBQvyfyCb7f+9C/rTcPP3LVu77d3h5AnQGZvwHklj9uhIy/ua0uPwUmqb8XNBxAMmiOvyeU7L4t4SfAl4n4vpSQ5D+z1Ay/2zXbPtRY9L+QvpK/XQMiQK+8pD89GVW8HRD0v/tI4D8xlde/+lKnv+y1xL9U/XA/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b31ab8657d42c9c0a9dc470f2cf9f765
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SBrTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9Pl4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/G9lPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+iqZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ehmlPkFl3D5pOgO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFjmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Vk3cP5WPT76aGzo/1Uk+P56GCz+EW0S+tXX3vg7Gyb5oUlC+OaKCvrdOpr8b44I/1bplP0WRTr8hSdo/Oc7ePhw5vj+txJE+dH/svjFxeL9o/pG/Zrvcv56MiD6SDZe9rumNv6r3oL/z0dk/f5bDvZvnFcC0+TY/R+uaPw6RQj95p8G/f/UHwEY1dD/qG5+/x7S0v5GO3j9UnsO/YMUOwGcGiD7zDgbAO/VFwFZ3tD/q3oO/asQRQNJpcr/7Cwc+nB/1P00ntT/rZ76/hBMcQFF84z5TgZ4/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b603ac67440092074de756e7f7be9ae1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "V5nbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iGlvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gNjSvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eA5Vvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "B7aWP2Q7H79Btxe+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGDmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "mUxwP1/ZXz7AzRo+Q6SIvpaIEj+jA4U/sEKQv2W/ob7k2sA95Fe9PetHNL8baDS/7Dg5vrLS5jw2c/8/56UTvwmw9T+xaaA/gpW/v7n3A0DT+oA/mB0RP4bTJD9KJJq/ISrDPnfw/L8fnbe/rEoHPiYHNsC8WVG/lT64PzG6AsCJfNq/oFYSwP16H79EFrk94QKuP/pJ4j5klui/rPwWQHBsqj1EThk/7DxVvh6PAsAKrhbAwyobQDuF974HJsQ/6XozQFO5iD/BxEU/P8I9QHTJ277/VR++", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3b1daf3504f19e0213f916ce2994f0ac
username: gastegger
key_value_pairs: {}
data:
  {"energy": "A/rIww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YeI/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6N7DPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Pl5Yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xf4yv9j1Kz64dYe+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGjmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "XeZPP1lSGb75XCc9Fc/CvjZNub60f22/Oal6vqDAID55Ypw/k5Ksv+56/73LdjA+zIGSvyVIv789d7m+TsJUP8Q6Zr+G6qg/obOuP9d/lT+aVsc9AqUVwFsZoz5vIjU+Hjj1v7no1r8jYIC/wKb9PoeP9r/p2aQ/NMOvvhgiuLy1bBjAm6DMPi1Sxj9EqY0/yzeUvqTCE0Deojg/MkNiP84s9z//0ABA8zfkPTgTdj8PsyHAKyeAPshZQb+3JjzA0YvUP7eyMb/TcP4/lROtvz9XKrshjjPA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fa14345a8c1fa07329ddc041596a1dd2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ewTJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dlFkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "b5yUPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "10+Xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RwN4PhLCI76Vgv4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHjmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "v+kkP7w5IT90wHg90ZkNv988QD6Melo/WCvNv9OLy71LLGq+Jj4sv7mTN79m3pW/BgwhP1OpTr7FPIy/wWSMP104A0D7dLe9//qZv+QJyr/r/qy9quD7P+n6gj+M7h4/5T4cP/t/NEA9hf8+9n5kv5lEYj/JHc8/Olztvv21qL+ny5s/MduzPyPfFkCzgIq/hp+Cvyj1WL+DKQzAwfUEQAIciz+7Xtk/7zQ2QMHCKj8fUcY9wpj1vy77F8D2Aoi+PlUIP3pn4L+Thqs/4RiKv8MHyL+7ZwVA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e7be7bf6cd2b190ebadd95515a80c962
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VwrJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2IBovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7Z+nvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2oxTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QbymP1EUaL4/46K+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "dPuUP0n/vjyM05c9dFRaPrWKhL+7mDo/hqXrvvPDnr8VAA+/4A0iv1eGGL89BvM/pnHqvweI+b6bqvM/XLBPP7cn8r+bGYs/WlPcvNwcvr5H5zNAfBAdPwxpAL9upqS/uaYdv33+DMBO1lS/kBZKP5Ymwz/RvwQ+59N/Pvci6D9Mj6C/TM0APSBg3z8oRGQ/1drTPwGsCUC74b4+9bAcPrRJOj9wRQHAZNikP0dUkr8i5O6/jC0OQK87FL6wEos+MHdxvultND9x/0HA9gM8vQ8UNEC6psa/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dfac6806acdbdbc2a4ca7cce07b59883
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WZvbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+gpivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MLwSvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7ls9vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CHdnv6yLqz5jf9k9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIjmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "pQ01P69TdT7SvZ698ioBvw0uGb+dmey+mCWtPpLq0z/Yt7e+wisPP97HmT9zgYo/oUvVv6NH1D6YTgW/DuCAv8Jo1j/LwWa/k8vEv3yeHkDRzRS/CX6gvjPAfb8CZ7y/UyY7v5595b+4P9s+TfWFPwTlFUBp406/iHWPvjoEkD9u9+E/zc/6P0hBh76BWtC+vjkHQNOIgb+Glj0+5T+/P+V9wD9jKcU/dpwKwERA7j5Su+s+pFUMPk0tEsDCUI4/xmUbwDr/Dz5IxaC/o67gv+ejDsCK5tU+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2d6b649338eda782a4cb1522d48a7f5b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YW62ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SBpcvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LUNcvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fQklvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iquKPvlOTL2wII29", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJjmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "zft7P5pLh7682qk+wiMIPpTJTj+O/Dq+PAOaPpFpxL+dmEE/maCMvyTomj7DiGW/sTbWv6jyLL9tvlq+YWEfPgTsBEBCAyE/GT6Yv/xYuL+rOEE/8DCPP+iKu7+RUvm+xtNeP04yAUCpbjK/1itEP5QdBEBcGsM/d8s9PxRxAMCLitA/5rDdvw9n4b8KgNE/XOikv9T/Dz9ub/e/I+cUP6alwb+bH7e/Wu/5PyE4/T+lUjC/OqHfPidyIkBGusW/lHZDv1FUKUCLaDM/Q+UGQMAM9b9N5Pq+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b7eed4dabbc064330f28b99096814ff1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gKS+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+3Rsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "K8D3PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gLaFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "onqTP0iKSD6JQcA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALDmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "AUyiPxO0ED2ZMOO+2ZjsPBGpBb/xQrk+no3gPtP+B74La9O/3Ngyvwx7Br88cIC/uR0Yv0Sjoz5Am6w/F30bP5AHoj29/SfAEx4IQPcnJb9/F9++P2ZfPhsuxr8RPjc//83Mv4oekD4Y/5w/IpZlvvsgEj0wmy5A/tLZPzrsuj82TRq+swjqvyYeQL9Cva2/7+FUPzpajT5o6zhA24/AvsQ/gr8fSkFA8XtVP8RbB0BhqlO94YFPv133Kj/NkllA9ysRQPQbwD8120g/e1sWQHuJ6z8yinK/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a9e3f020c630cc12539f50a239d238b2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sAnJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vi9uvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DmWovA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HCNZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BHN0v+ohSj99y1S/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMDmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "j4AQPxjAXjyPTV+9GkMev95fwL4pb1o/q/o+vwVwiD9WGKI/9poIPjdYuz+aHSw+Bp1Gvr+PST9NKJG/kmPyP9BSE7/PMii+v3Xev+pnS7+Lr9C9Se/Yv5pktz8Jzpg/tPjLv3LwRj7V46W/N/IlQH7AObzI91K/TZkPQBN5y7/skcs++PXYvxkkoL7chxDAluTJv5j36b9tpdq+K9/Wvg3chr/cbtc/PHpCPyw8FkB9QW4+QOcWwBBKej9vQqK/P/+6Pl4Tjz+lNQDAm14uwOqCP7+ETr0+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f5fbb1c34ee23406173a45197a5515dd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qVibww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nrZWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jV84PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QWeCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EJLFvUNznTzPLAm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMjmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "E2v/PgsbNr8/0Sa+lNJQvzXmfb0cvxK/rJL+Pn3aMD+czzO/ulVfP4mySb4gl6M/0Cy3Po5PlD8Uakc/+JyWv55LWD/PzSA/rQfhP7Fxkb9TEfo+WEnYvyYgzT7Nx74/QJPmP5CIB8DJanQ/JUvgv186Dr+1/9C/a6MpP25kB0CH2Zo/P9HLPnqeKL+KKwlAXUTev0IZ3D/tcI8+JMiZvyiTe79sah7A140awIzGqr9Fvp6/Vk4YwHRBhD4lwQDAyRwsQFiiWL/Jmeg7FwSCP8rXhz/WzMm/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5719940cec56484942852e5ef8d871f0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "t5q+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QpRfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PShoPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Kc+Mvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "J4gqvyF2Jj5fXpg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANjmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "5VhkP10ARr56RqI+74HKvm8RH79DUIk/2HKiPoFrlz/IsBE+PV7hP0vUR74p3nw/5HRMvy3qYD/744k/a1gGwAKc6D67x7k+4OdtP6eJ9T9uW/M+KGXFv1Xdar9HcTU+vtEUwOf4eT91YxK/kT4JwKvA1L9XGQE/ga+fP4RKV790oIG/iS1fv3uVwT/5LPs/iMikPglEi78HDMa/cNuTvqBgoL/fafo/2Fc+wEHT/D6dD4M/munnP10J4r8cvVq/5P0EQPmwxTxE/+K/eqjIPydHVj+lqfC/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bc685df51ebd8e2b5aa316f4cd721a45
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MZnbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+N9qvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+fgEvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uqFJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IGM+P+HuLD2f5Vm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AODmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "HvuAP1LP3T0x3v0+UWJfvpvTaz9MFZY9a+1/vyr3nT0r1T6/9b10v2LCsT/dNKk/+/39v+35aD8LVNw/lC43v2pjpb+YtuG+jq4sP0Sap7/psCc+W9LgP/y7HL/rSgS/nMfaP0yUiL4sjPe/sB45PzGkAD17wxPAzHi4v1As2L9Coo8+u4oaQPTJDD8NHQfAtORKPXIA6D+WiQO/DcNNv3yR7b8uC7C/8YLkvuYTDkDqou4/cpYDQBTJkL/PbCDA7ul0P0OfCcCnfUo/Hc3GP2Cp0z44QbE/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4b5599d30927dc0e88e333077c8354c5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nJMFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "urt+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eelmvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XAFFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BOecvtwRRr/+Jqi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOjmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "2IWVPpACQ74lX36+6ox0v3h4Vb9ylcA+8cfrv3gJ9z3WTmE/jBsswKENLr34lN0+qpQXv3V1wL8fVJY/O+nTvwAe2r/y2Ca/FxaGv3fJH8CUI5C/A7ExPomzhz//bIW/TZigP8mPk7+keRe/P81IP1n2jT+zoLk+WkIzPsB4xT+qppI/hHoPQD24rD+WiPk+udSgP/Fmor9qCsa/BRFOv6ZGwT8UNZS/DctaP1aZmD/tWPC/6180wBe+w79ijW6/8xk3QAfVaD/326W+/pUvQPQw/T/xqLE/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fbf222961d6030f578298abad87a354b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3A2sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NGdNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Oe6UOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pg5Svg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "g8ACv+hNxb5q3hG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APjmRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "vi+KPyKyID6W3uq9d7uWPoeFgb+BrrC+m1WRv9AIcL+zK0y96N3ev2bezj6cgq++1elkP4vwDsCwQSk+88iBv/J9wj+Jc8++AnznPivfvj/D70y+6SmCP/tYgD/WII0/SfW9v2OJHkA9Fxu/5QkGQJbX/DwsXve+I2k0wBOG3T6vOO++8YOrv2VRmb8AWYE/Q5PSvz9W27/euCK/xqKBP2tvFEBSpR+/MhR3PvDhND+tx9g/mzZbP+3mE8BlIqI/UYT4P1B7EsC3CBK+54a+PgZ1RsAaL4C+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9dc05ec8f198453b9830e8b11c467ec9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MCzuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dk9+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1CmPPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WBqIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "B0K2P1BTKz+MZxi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABDnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "dRBIPyf66LvMd8u8bZ8Nv1OYxr6Qbr++fxDTvylRy73VytE+PxVHvwnajr83ac+/s/J/P4XVLD8qzKg/N/uzvydm9j5GYqc/KKrHPqge+T+Iprc/2aA7Px0kIUC1Wz0/yykywJGB275jcgQ+o75Iv8/84b428B7AGUKHunFs779YFeC/4pDlP+aEYj7/dYm/XeDkP0HNfL+r0Za+iqzDPz5JxT0FrwfAGGUWP8upcz0q2AdABmkoQPlSZD+8+mK/S3cFQO8LOD8NBLw/zozgv1imy78vLsa/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b55652dbeb620dc2a6c0cb4c1bfdd930
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OwLJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YapZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uYtwPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qOaKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4liXPllMnD491VE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACDnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "aLWyP/TclD6/kBO+mkGVPvkgjj9LtPU+B66Kv1ejmz/LovO97Ophvy4b7z5NOJY/10fHv7TeWry73l2/ZrjJvwv1CUAKvKq+fXWlv1sPTr8DRdU+3zb6vmvfg7/zfE2/OAlaP3QqQL/Qine/mZuZv0eONT+maQtAwo38Py4bbj+d/1K/0d8gP5LUAUDE/nM/0bMVQN/Aor7o7mM/rqHkPwWKc7+1dMs/qOk1QMB48D4X+ro/aGJGQHREbb/2m8o+Z6Q9v5dG87+/XLO/OsQBwKUFwb9F7Us/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 530898fa56e4fdc074e2cecda0726456
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hQPJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QSx7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "t0MDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "U1tavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IAwEP0D78b5oke28", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACjnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "3bQ0P/0dELzd0bK6CwkNv1upwb5vRVk/NQqTvhfcgD1LS5e/Xcy3vxXuiz4wO46+FNWrv7C2gL/ivoS/7YyBvyEP279Nznw+OirmvZzp3D7a0QvAapiTPx5dtD/K75o+0R2evj32IsC4ui8+pOYRwAPRcj8OHZW+9xn1PwcHcL/53bW9aZf5vygwBMDcRi4/rMYPv8EoHL4DwPQ/3ZgVPyE7C0CPJYU/WBoFQDIR3D9GN2++xYPTP8ON9L/edwG/QlYXQIdbjL/GoWU//MMrQOICAb++wTy/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e80dbe164744a3e9dea849ade594fd9d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1RDkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2V57vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9FIxvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HApPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Gf8ePgskqL2IS64+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADDnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ZQqyPkgnED20t2a+vfpyv19VND+2mA0+TUYDv7I1CL+4n1s/pbvav0KNn7+4pIk+WhkMwO0hHz1cROW+GZG7v2nQBsAy6rO+H6UQP/B1E7/kx8i/u2gWwDaixr/EcYw/iiRJvlBnpb9seAvA0sVkv2W01z9U7hk/jYgQwDmVezrci8S/31HMP6BKKD+jxLU+DbcbQBoOPj9a3au++D1HwNv05T7XyRq9NPnpPyztLz9R8eM/cEG7P+Mi6D8Uiq4/kSEGQMbKSz6rWS1ADr7FP4sgmL57FQHA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ea1c307ec207bfa21de2c7dc57524f17
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pZPbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LlRuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "91t7PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lpWWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ATD+vn6pf75/TU6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFDnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "apImP/5YTr3tbNm++wbxvgF+Dj+Rpqa/1lQMvqqkXb8mCig/ES0Pv6OKEz98o30/mY1IP94Pgj8h9Bc/6apmv3BSyL81dKI+RVUuP0Hls7+xJ9U/WnFIP0wSFsDyqr4/WRr5P9Q2Ab+MOIO/bTCxv6L3gj9SBHO+xOTmvzbkor3K5ZG/OaxavwTdYz/s0P4/vGHiP/8To79iO+S/HbIbwPEvmz7pFOy/btQdQDFFqj6jD8C/JXNyvpitjz+PkwzARdElQAEgar++7Hm+inHzv9+1/D9NcoG+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 622855ab1bfc2baf33a24a1fc6965aad
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nqAExA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JhiGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cjUyvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8KJfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mrYnP7kZFr+4r1O/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGjnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "sJwmP8x2Gz5tAJI9X8Ynv8+Dlj4ethw/omlKP3GeIL/Fmp6/VgmxPry60L+dwY+/oJrNP5TsHj962SI/vIFfPsuj770gJQLA8TcJQHMfM78tSse/+VkYQFN/sL+HcTHAQJEBQC/UGsAa/S7Au4vlv2kcZL4hzza9ASY7vyRSbD/+HvI/YdLHv4HFDL/06oi/XPBvPsp5ZD86OxlAGgw5wFg5ob6IDNo+HfPlv3XBuT+8IxRA+LHRv2s96j/A509A+jnyP5hAYL9OumfAYGRdQK5osL+gpjvA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9205344199fbc8a9cd3e3427194430b7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "a7rZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "t114vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oIuGvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Q4xnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GQSmPoI5Or+P5LK9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHDnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "PRdDP1AoKj4YrZm+5RwHvw+aur4xdg6+3wKyv5o4Kz9c5GI+2YD1vpE88j8dPos+c/5bP7ettj+e+6q9BJ95vxMT3b/eb6q+Mf4kwElaDz85Dds+4aP7vsTcFUAPqaI/PBD4Pw1fNb+t9SS/lXvYP6H6rr+H6r2/UhgcQDZ+xL95Aus+uGtUv4lNKkDXpNm+tsYnQM5bc79mfKI/3iUvQO/WKL3BcHm/1R3gPxJeDsAtYT4/NvgNv1C+GcDnxtY+Fpo2v1QvBsAY+qm/avEDwIpf3L8UyGi+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aae67ebc6f2c59e32304fbe49fafd53c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eJb4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rmd4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cXWAvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AFlovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "c0tzP3eE07zqWyY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHjnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "76yKPxe2JL4M9CK8IoSQvSZ8Qr/6Mky/546lv1/trD1LSQ6/n8pjv4Tgnz9YF5g+3bUSP5WHiz/odSg/TlsBP3lrur8gs+Q+225wPb62oL9yKeC/ji4WQIumEb4VYRq/5ykawOtOJb70z3O/KwVFvoTQwb/CN9M/rgAuPgwfC0BhdZO+L4iNP6JcFcBKP1M+fOnhPrO0BEDWn6q/P4xqPxdOqj8JOtQ/iaVAQAWHNb5ETsM9k5DPv/8Q1T+XSHo/4RkcPthiTED1KKA90Cxzv1phBsDrIMU/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d1af377dd14bba417da6e31c3ea445ac
username: gastegger
key_value_pairs: {}
data:
  {"energy": "m0vsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "e9eAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Lq0GvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "I0R5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sD2zPGCrxL0j+Iu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "IjA5P6Eej73BD5a+Ib7uvvcazT4B7qo+mEdRP7ZeNr/4wsC/n97Lv0LqqT7ff8u+o6DGvnrsVD9MyL0/Svf2P4hAwT2Rvwg/5ynBv9opqr0gsam/fEYfvklbY7/BUBTAPqkZPiD2sb+LTUnAx3cAQKj5kz+SYEo/q20yQCYiRr5b7pq9ddj2P//dNb8s9tU/ZC/rP+jihr9X6tm/KwQ4wF41PD8qqxI+Z8GbP5dYtr6aZQ5AjRQuwJSbkT9oYJI/clxVwJqqwD/9Pfi+I+ljwF5s7r37kFA+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 445d78b87974e7165d7ddfea489c9ed9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4w+sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "C9RCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dhw/PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KJtyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zH+YPqsJIj4RjVa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJDnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Bl7ZPlJjk75U4pI+fbUJv2IArb9BRgw/Cwruv4kvU7++O/I9aq2cvoOLCMBEoWW99/V0vrjcLD8faCW/GVenP9c1WD6zs7Q/i//EvziCuz6O5kC/U4rpPvsa4z9f8JG/mDHyPxeOHL+ISpM+kGWWPz1Ji74c0RdAwiMSwJtmbT+iDKe/SPnEP6OGoj+msrg/uKEKQErY0b8BUQA/NGeyP4x8yD9ckbq/5hcdwMzECb+Hvn8/6bc6vTZSE0A1n+u/cUobwBQNzr+muMq+D90iQM2u/71lcNy+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b655a8e27f341ed859bf8041be619a30
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vy/uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "q8x0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yTgGvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eT5Tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vLNuv8Trer0AUps+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKDnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ZWxWPzK2Ub1M8Yu8A8c2viOvN79hPni/8r/Bvo+34jsbH+O/Yf2+v5Xch7+clm2+ZAi1vwyFKL/wd5Y/YrG5Pgqp879ON8K/mFcdPsOUjj/I5Ck/hGaUv7J2Qz9356s/lpCaP4pf1b+M0PW/fogbPzEiD0D7Uxc/UI2MP7+qS78upT8/1lfQvwU3CcBFso6+b8QVwOHgF7/GckK//owPwDjmcb8tFtc/S3b9PzgKtz6Hbzi/jacBQP4hqT/Twxu/Jjf3v+xhtz9SJWs/CtiJv4dEgT/dCBpA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c8bd6a7974f27c002b8073d9c80b9b92
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kwfJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FMxIvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3nW2PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0Jpfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cr9DPoeiYL4HfBa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMDnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "QGWOP5z5UL3oIvE9irYaPlzWoz24qHW/EJmYv9ni1L3XT6S+tkEBP+lQyL4y26o/0i3LPvxBgD8jdQfAH0PvP24uHT/A5Rc+czR3v359177cWYw/6u+9vy4xXT+m3y8/AdTcPur8/r5nxhTA+yECwEgJ9L50AWa/rvCyP+dzd79x9B3A/IuOP4PjJ7/Qpx9AkserP+d4xD+i5AjAHPLPv04AhL/kJ9o/c04MQE8NJb8HGSZA9onEvg5sdr/HqzfAXlPgvs//yD+vqSDA+4wHP9D1Xr8eRFhA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b63dc003fea20c7330e41da81b0851d7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HBvkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TRNWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tU7cvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dok6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mIbxPuV+pz7Y8MS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMjnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "/OcJP6YnIT1+hou+8A4wv9UOPb+rBi+/EuyoPnN8cj/o20A/+mDHvxeEdL9CttA+0JFcv8XhkT/187c/i1IAwJfYiD5cqnQ/wt+Hv0Up/D8UhBhAtmWQP/nYvD+sH4o/W3YpwKseJT31Eec/RdSav2w5SL5r1L6/EmffP6s4173431y/XgxsvhLpIUDamyVAgZkkQF6VBT8YzQi/wEvIvs07278hPom/83cAQC+Jgr9okvO/YAURQF8K5r+3hzLAgdEeQDAjH8BoamTAehkmwKC4VT+CIl4+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bc2f4db974c1a608348ed639f4327ac5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "e5fbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yLFlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zLe+vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ztpNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TpyIv4guqD6oHd6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANDnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "RrxQP3jIXj4y59y9MKi4vja3jT9a/RS/acoJvluQhL+115m+ESvNP9kWHz6lHl2/EBa1P2t11j7KBKA/v3OUv3vGFL4oOoa/9b4UwGEtuz5KMDq+vdoGv9++tb9VmSY/2ruxv5rTqD/yLPI+Xl28PlVZBMAKso2/bbbcv+42EUBAlxE/aIA2P+gIUz9+kABAOOeDP0+hI8CDPxu/Kc8HvgWp+z8KzZu/lfupv48F2L7plgXAKZIjQLm7CD7fr8Q/mPwywBGzsr4JfgA/cNVGwMf+WD/h+ke/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b8310272397ccc75e22b8547337d747d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7lwCxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BHWCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dO72vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ogxmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "30+xP+ZXj78FxY++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANjnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "r3l1P1P1bL3/Sqg9vm6xvqebBb2+a2U/yaq2v15CjD5qBUg9xEESv31drr+SS9I/h71gvretiT/DOvg/umtdPx5bkb+jq1u/uR0WPwWrYT868StA8kehP+A/Ur969gjAjkCGP4NUZT9qC+W+37+nv6Kjd758QUK/BqEQQCyDu75/CwvAZ4Nwv2D/AUD62QFAll4Pvxo1DMDbim4/5UqdP12p378dFy7Ag3dSPoaSxb8mIRlAZp/Fv2gIq7+33AhAWHTDPh1mqz07FS3AmyPrPzLWWb6VZjg/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bd422180a4a2ada1f731af2ac753d0e4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MpX4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2Qp6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AI49vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WadKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "16PwPapl676JQYS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AODnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "EZV2P40LzDuiP7Y96LayvYIlH7+aBoo/Pqo+PexPAr/deIa/qfF6vxKlib8sPXy8C/aTP38UwT/ZlhI+yoOmv2cFrT0DIXu/bSynvPH5Vb/wYhBA7v+UPu3YEkC49OQ+WiwLQPfj7j/R7QS+DQMTQLa/O7+0dUE+n964v4/gij/aLxW/ZffNPhxGgb/jjvi/OQwKQOvj57+x96Q907gHwFpuib7+NQPAKXwwQCUKDb8G85Q/4GJCwDdHBr4B9uS/5Ew/QH2dzL52SBe/TZnLv9oA/L9N2lC9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8dc28151705c663f76cc5b9794270e8a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6Z7bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zLR9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MpHSvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pmJjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TgvKvx+ikb1NhDW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOjnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "236hPyCIbT4MEAC+nIudPu/fYr8ZBKW9uefPPrjRwz/dwWO+gV9Yv5sI7r6rr9i+4Of1P7V05z2ACH6/bI4IQBSbcD4d3Y4/zshxv65tgT9XH0C/vyVfP+tHEkDAAFu/ANAAwDL+sr+FVw+/LUnovwBFE8DdEv08YgBMwFTfN79NrRK+y3IFwC/22b//FM+/Hpbov/7ZvD8mapO+UqeGv9VIkj/c4Oq/Y36MPnkM/D96r0U/nXJ8wFiLpL89JaG+Uq7KPxr8AL0uEgNAa0BTQDioBz8JtZA/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ec2deda953e0f52e33d4a61a2507faf4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nonRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/pp8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "D0JAvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eopMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mpnJvrSTgb8AjG8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APDnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "FVsDP6Hw6b14V9G9Cpo0v2XJIj/jfRu/eo0oPb6/gL/Jp4A/Wrbvvx5PE77qAWi8qZ+0v2Mns79aHBs/+2gAwPkRo748ors/00onv4Vx571RBQVACMjqv9YOGcBynQA/Ids1wPBJt72AK/6+IcOmvvZ+bT+dygpAk+k+P3R84b8/bKw/x57iP2F1ObzClg2/nEMkQKaxG7/T7/a9k/wmv1bPE7/LOURAD8QIQF6hXT+lF86/gMcbQOYGyj8UbR7A98RAv+j9IT/Fr9m/MZEwv3MR2D/CFJq+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7583f28d5868f380a0b488f3780b1be4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Wpfbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "pYdxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ek1gPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dc2Uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WMVbPqw5gL1NvgE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APjnRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "by8nP79/or7J3P89kSYMvzCDMz5TcII/V83HvuXkOb8uFHW/aVi3v0xCcT0uD2S+DyVIv/SyFj8wbre/M/ioPxXvUD+UAdm+5nPSvitzlT+2Xbw/saLRP/dvpr87BzI/2BCwPvHBvz9ogJu/QiaAvwj1RL93z/s/cdcQOpOMGkDbYTi/S8fovi5JMb9rXjBA2crfvkxKzb/bksu/6cMgwGSCEr08ImG+lTFMPzZk4D88UwvAqdiNP4EDCcBKBZM/7qYQQL6bUr9Pp7o/gAQTQL2C1r8wVLu9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 784a6eb4099022a09ad882a18a70b6d0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BovAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gCiAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hgGLPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4uiivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XKwoP7bb/r41eyA9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "X6m3P/PuZT1vn3Q9Fp4YP06FmD+ItAi/O9wjP/7IJL/yyZc/3l9Uv5EgTL+2yFc/GJA2P/OYlr0zkwdA79iIP6G50L/Sg7E/ibwcv9rRND91DpG/9uCxv323jr3poZu+AvMUQJ37Az8nHwA/GdfwP4akbr8UMIO/EGzSv72/yj585YA/Yi4QwBwt3r6RP1u/Zzipv/RJ2r/JEpg/pQuzPgqG9z8s0W8+ae2CP6SltL8rdcC/s6KQP8XM2D+y/6u/bPAgQDnM27+51hm/jRAdQCCd2b7eXue/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e910f570122e0ba1a2ba9c31df1f9721
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uZzbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bQFxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rRguvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QntFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "V7JDP+rnrb+ADiM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAjoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "PyJkP0oCpD3K/RS+pn1FPUBSp79BsxM94HnVvnEBlb8UWrm/he2Gv+c6kr+Py4M/7SvqvxL5Vr5fo38/HEUoP8LSC8DM1IE+r6zdPbkajT5vRrq/V31kP9o1kj+vb0o/xLaOv8Vx87+FY+s/TBDsvZ3wnT/DjAjAe0++v35Vob8s0tG/3PP1P6hyYr4b9MC+zFEIPofE6L9dQgjA5Kk1vWdBwT93rmo/FW7EP2dEWz80BwRAQ6iJP1EGlTzbfCdAOJQlQC0+Gz8pffI/MXa/P0wZ3z9WyixA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b7cc7509e79c0304233272dd9b88f28a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "aJf4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wn97vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gc6EvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ghg5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hA1PviUGKb/I7wW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACDoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "NGtCPystjb44CqW+xMLOvsnESr9BnJa/S9iovzWR677Oda48+NKRvojsnb4vT4g/iTccwM7zQLsh0GM9ovJsP0Xhkb+bu2M/c3HhvhjxAD/1rwdAILJLv30RC73ZFBzAyg7QPzRoXz/u8hO/9LezP74Jtz+oVcG/kishQK4gnT9+nSo+erKcv3hthj9mu/k/f0CdvsWB7r9lVbG/ebJUP87kDcDIV0Q/IHlmvzTMhD823A/AVE9yvYQeNb5H9E7AWJjhv155yr5C/DLAklHeP9hDVL8HdsU/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d63899f769a72114492c1ebb39d7f115
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2pnbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HsRuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UOTJvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lIdVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "b0dIv7jkGL4n97s+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADjoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "SEumP1WG7b4MmHw9+Y/VPd3N4z2Lijq/2eb6vlvNo7/kND6/YoM7vxCxjj8GmQW+IGRHP2g777/gJ9C9WyMIv38v+L9ugxQ/sBlyv79h3b8YRs+/ID6UvkQ+GECimWi+gNW0P7iSBb7EH4w/G59fv/C8p7/Ov/Q/xwUQQA97tb51uOq+dVUWvzW3hr5nuP4/41XSPgZo5z6i2tu/rFHLvs0B77+GZC5AE/Fkv5+fPcAGfwE/D2b6v4sVrr+PCwRAQgc/P1l5LkBrDjq/ovCCv/EZQ0BkYHw+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e56f6cb52d9bf44b5ee7569ee38a9ce9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SpIFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JGRwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1PIDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "b2dPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uvewvQTnLD7MC5i/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEDoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "+tcRP1jXLL2qUJ08mhsMv/Sa8j6tTmA/OzCWvRQ/N75nQ6+/HWS4Preds79QcB+/v+nvP84roj5sIoc+iowIQBO32z9IGE4+EaTqP+VvCECrI0W/jvG5v2+gvj1Sfaa/7bEVv3GcEsB40vK9MnnpvzxB1j5V+ik9sPnOP4w7EEDeWYA/bFSnP+wY7L/7Pm6/dBIgwKo0rr4Yl+Y+VXfLPmVaCj4LxxLAPHxNQJTW6j8uVaU+/9ehv8A1GsCw5kq/BqvjvraBcT8Fxv0/h+UUwIv4sT+lTmA9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dc03f4f5f8a192bd4e7f279f0d3ea982
username: gastegger
key_value_pairs: {}
data:
  {"energy": "54XAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4ldsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Y5x/PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fR+Wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8rAwvvUtw77ogno8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEjoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "KX0WP4yQaz7hIoY9cLGgvv4cTL8NsAq/duukv8K9mb+n38c+6EUsvymoMr9t8P+/CBTzv0uL5787IRa9sTmBPou/5r+i/sC/dyaCvl665D3/kSXAfianP8It4L8kU+G/aiDXv3Jler92pBLAPrOFPYFDoz/pW38/tPQUvv76M8BWVLy/ZH92P4q3Pz7Qc8Q/tLUDP3mjFL9b1AlAb3H9Px7w7T4n6+Q/CXmvPxJXFD/mlhm/XwN9vx/Cmz/LsaE/VvYSPyxbJEDJ/FA/BEEhP49EP0BdJtc/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4c971047fb700fefd7f8c93bb2b1c802
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rbXZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "P8iCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xLDDOg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8IuDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "x0boP8e6QL/92c89", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFDoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "flA5Pz/j776hqgM/Uw0Rv6eQNb77T48/NpBMP1mPeb+DW0W/e86Cvtq1hr90pr6/5TAOQDZEpr98o5m/JZLwvFTSsL9POBvArF8sQHm0+r/F8Oa+B7qjv9Fie78B7Wg/BbfavhzH473m1QxAs70/QJwxBr6cd7W/7cEMQFXJ6796aQnAF/uSv9Uakz95ZxY/nKyqv1XWhT+3MPi+ykXZvpef+j/osjo/Pyk3QMQj7D6ceiu/AQwZwMX4vz/u4aE/biq5P2uLRb/b8JI/yrRXwFMd4T9KOuk/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 905074381f38a41b027e80e4ac0fe3e2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Lq4DxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Nh+Hvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "by9pvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kPJTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "969sP9PBuj5fXoA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFjoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "xOaXPhBswT1llAk+TKiLv6Frsj4PUTc+PyoAwIsUdL6EsfS+xQW7v4lcvT/CWY4/NjhfP1tuQj+tmCI/PrbOv0+hdb89Bou/sDsDv6Nu4j96eQZA5EhtP2idW78zth+/Xl1WvoFwdz+M/ShAgFUgwKQKDEB+1nk/GEhWv4ziIEAwMi1A7F1BwFeT7j+9PyA+ab+xPgRZ1r/9Kam/ZPccQG4gW79jVA2/nTo0QFtmBz6I52C/a1gwQGDreL9USgA/tbc+QMf677/j2au/oqkNQIAdFMDKgN+/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e8e51adc8bb8bf8affc99facea13b380
username: gastegger
key_value_pairs: {}
data:
  {"energy": "opcFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RL6Lvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YHXkOg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uaKMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7zjFPnLcib+mfha/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGDoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "DMyDPxugrT616Lm9Xy2DPsVhML8lK3K/zXcuvxpgYT75n96/rvRov4jDsj+Fw0q/vhuUPYA1sz8hGh8+ZcXjv1TkDUCvFlO/S+YGv0Cb0r8wvAO9y8KLPtvCBcCQqIY/hAy3v5e/kr8m+rU+4C9Yv+IcIsDSRhW/INDGP/IxDb73QYw/1lh0P57HoL9IM8i/UK0wP4k5gL/fAOk/IELRvw9va74AbgHAEq00vnQm3L7LEgxA3sqjP1FDsb/PwClAMpxavtgiGj8AwinAgLfvP9OXRj8uYyK/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d8b10a40860f487bc4a1026dacfd0d46
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KgDmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "a5mEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BtkyPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MzCKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PSxkP27ARz6RLNS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHDoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "KSuSPw4hIz43in6+t5pLPbEQFr9hRRE/HsIOPRSbaj+VEoy/29JSvyNhsb4JQzW/xEauvSw5hb87kO+/UyuuP9MQKr+ftsS/P3AAQK5oIj95yV0+IPtyPiWg0L8cqFM/z22Rvv42+T95MXW/16sEP1aLdD7/CxrA+Zv0v7KVub6oZSy/ZJWxviGD+b/VYxnA/bMCv1tavj2/sOY/XOqXvkFWtz+jF/c/bd2OPoSn3z/kuZw/XgiTv57H+r7LsyhAIjUNQAs4pL+88ea/dC4pPyOGGD+euVrA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e5b02c7e73fdc2b72bf162099b57b4b6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MSruww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "81R3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CkqRPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/Pyfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fLjUvuBntD9YkCY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHjoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "CjyBP7OpNL7YuoE+mW6APimfLL9Pn6g/IFDUPmJb477PeoO/ezyHv7j4Bb5cDbg/goD4P4WIPr+mCYA+25Thv/Flnb2azdc9zImEvy2lYD9UQ/A/pQmrP0ZbqD8woro+moTLvz9+Sb9uYQhA88Jyv4Mlg76CFo2/1MHkv2K/pr9ZfSO/4cLQPqm98z/5S5A+rT2ev7QQIz4uKQTAeP3fP5Xrvj+6c64/BkYWQMyw0j/A3iK/qe38P+umuz8mMMi/XogrwGPFAj+Jl5s9rfckQOqEKEAMpRi/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f506fdc049a01525ba1108fd876e560f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "YvStww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "REx5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YyaRPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "u++gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pmHovuoJS70gKYK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Xv0AP6iOTj6dJ2I/OUA8v8RtJL8ZTMM+kmPSvvbcZj/KD/Y/cIzQv9IfjD2cLrc/X78MP+XCaT8mm+u+o+Irvw0ipD17pXS/NBhDP5oH/D8XoRi/crAvP6I6eb3Wy8m/rtz6vtpZ/j/IdOg/NFzEvzk0zT4dJsS/5CoBwDNgHL8IWgxAuQO/PwMjmb8ChbS/XzMHvo9gLz9aLD1A3ROMP18H9r8jiPO/qDMewAy6IT+qtYI/BBVBv8L43b+hy7s+nOdEP4CR0D7ctyPAPfm2P0d2fL7JiJ8/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 806a24e26294b64ee39611d7b615f4eb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "C8/0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vYo8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HJWbvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ghgpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "U3m7vzo7yT6Lw50/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJjoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "5jofP6i8ZD5AvuG9r5nQvmTkMD9urT4/LYeNPVq+ar8iRDa/7gmZv86sk792AYi+gCk1PzBM3L/tUsu/2se3v9OwMb5J5Rk/K30pwAKIIbxfxp4/gJjLP2EBsL+hVfi/hDHGviMq9D9ESsM/babzP2fORj/ry6u+F+YsPgWLGMCFmwfAF40KQBHd1z+o9Xw+WPEtQBANmj4JWpG/ewpIPhiS5T+ulBxAYihOPZz3LUCgCXA/e4W0vxQeDED/3uM/XWImwC6CbT7WFA5AWxtQwPX8Tb9nWoo/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b3423a00c24ccb113aa476e0dbfc2f1b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oYvAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mN+Bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5+MavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "NgZdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FqQRv8LdYT9A2TQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKDoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "7jyNPyS2mD2XH2S+ovFMvafrrL2aIVI/NJI9v+H4lj+kwyc+vHA1PqLIez+prom/wghqv+1dpb9bPiM/YRJMPuGu0jwLyfA/jLNiv9f3AcBev6a+Qx6ivnBhzj544O2/hrHTv4YXvL8je7k/JD/YP8yNh786mEi/KYQdP5jJ8D+yVMK/BS71Py+zKD8VWV8+/mXnv3dVhj81aBi9C/p2Pz7F07+iF4O/oJwFvxY3HkBoB3E/f5MJPwaJKEAXH5U/R5SIv+WdHUAcAPI/uIVfv5Q3VUChLbk+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dc746e01fc4ac401e293b148fd663cf6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1LrZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wfs7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yqbcPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "MpBXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6DAnP0t2nD8TZlq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALDoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "+J2kP90ZVT6DUFe+T/DkPrCucL+jVNA9e1D/PidHuj8T4fe+vIJlvwoUY79r5tA+1GUAQEjdyj7yNRs/UNrzP+UkJr1OnYu/eOmSPyJ/DMC+zI8+2dlQv5DyvD9WcIC+fuq8v+patz44V4w+8FIewN4cuj7nRMo+YGLGv1fr7b9PFUM/jXWjP0U6JECZFl2/6FO3vzaCFkA0WdS+So7zP1EgF0C9cNG/jXPXP0HnHcBBGSO/g6zWPmzdPcA1kQU/awPxP/f1B8BjCIw/L7s3P4EUWEAmyoy/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 39cee864ee60734f64edcd92284851d9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dB/Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8Sprvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2VsKPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9OCGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cCVzv26Lsj2GWre/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALjoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "754+P3LVmL25IZ+9+vWevnhylb+UyCU+IGcJPa/6bD+2Z4S/Xt/EPyvOEL/owii/h7ygv/GYgb8aAFa/Z8Nfv/sKEb2FCOy/bdF4vj47AcBwQI0/dQWmvr8L+r5IwyvAU4qCv/urK8AdWIg/cWrwv04f478J+4a/Iioqv2MZ+z/DpZO+j4Wpv3fmxj/uULw+ExWrP1Rr+j47O48/+bbfv0Ch9z5a8Q/Aig9CPwUCtT/xYdi/Ux2Zv0GDI0B50mq/WTfrPxZcdD8FwgZACbsRQCaarj/P3D5A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9bd51151499d7e93cfd36e18d612bf67
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sh/Hww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FVZavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SkZOPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1POGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yAehPyL9dr3WVqg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMDoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "D0OeP7swgr586SY+g9ETPYxplr916RM/GvlWP4X+oT4uVIy/WryDv9HMf7/ulAK/hAqFPzGwCj9RMr0/2JaqvVUetb5N9u8/Ms6zvpRLhT9EiLs//KfmP2tEgj94SAVAg6j3vnBSnz3GvLi/gxm/vr6INr+wrTZAOuyVvxMJFj/hyhjAfUD/vxvWLL/7K/K9jz76vh4zzD+hwRNAHVSnPy3mjz8EH72/GxAjvzfbpD+h1TnAqqGYv8KK9b+oGYq/rBSmPnVzDcBFv0I/YXwNQIenP79TcfU9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aec6bc7da5f11c342acf50a52a15be09
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DbjZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WMt9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "m3CvOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bqOBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "JhlZv3GP5T1/h+K+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMjoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Nz2kPv/4V75cnMM+yOUpvyR0WD93XrS8wKvJvgh/4T/eXQQ/vr7AOpO8tL/xFWo/9ODRP3yUBr6Fhog+oEYHwF0q+D6r2KI+UKX6vk9klD+XtsG/lQpov7fG478IhJI/mxhIv3U2jj5g3wbAGloEQEP2qb+D5kA/JZeOP3dACcBpY5U/AAxHQCyVzb8IgE8/GT0RP6QKrz92stu/ru6nv42/EUAEDOi/eAiSv/U2I0Bx+i3AlYwbwO9C2b6SfVO+E8sPwDjqqj57XLI/658xwBJWpT/jPu86", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8ab6c53584d75bb895e1e7820e0dc0ed
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Esz0ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "m+Nsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jpUYPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9Gx2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eQEQwGO5bT+si9s7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANDoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "m8pYP9xEvL0OjJq+QykJvpHor76oqBc/OBctP+aYNz+93KO/Lx7hP6a9dD/LgA3AQjBBQHpdaz5Uhvu/v+J+QPwXur5rHt2/b0f/PwzIAUDfwA7AwlPjP2zlIr9+6NO9Uzm4v8yHfD4YIQE/h8S2P2b+ND+JkE7AM4L9uzpGgL+keaw/CKn0v3Up8jyoee2+uvGxvxDCqz+9+BM/MhITwEW0n75OwNE/SpLuv0gFkL+K6htAR0pkwEKJKz6rgtc/Gnt6wAnpVD+Mx4E/KOmFwFhlKr7R6xlA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cda7384a2295561ed26d90b512967cdc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HtQJxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ChCFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "aARbvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+l5Tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pg/NPmgF1j5EwAk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APDoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "1uskP2T7374S3HO+RuEgv+Cl3T6DpOW9yNwjP4g6gD+677c+02Piv0zBTT33RFI/N0FaP29Wxr/FQT0/DCtPP2Qqgz/z9Lc/mYw9P+K9nr/2Muc/X9OOP2sKLMBSGOo+fGqYP/Q6Eb+TmtC/BCGWP7qGA0CNyLm+LCAVwFBDS79WQNA+nnB0vz0gUT+suom/9/EHQDMcBkC8Wlm+UIWyv5zwib4rJuY/UCsswK+DlT8KPoM/yxlEPw0qLD7TORbAXA8CQJ+8rb8Rnvu/ITFawGHIA0DF9pY/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e5445fda776ed977fd53936fc4367219
username: gastegger
key_value_pairs: {}
data:
  {"energy": "B53bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MzJYvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Iv8MvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "avI0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "csSKPnDOUD/9wQTA", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APjoRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "wI0bvMKlGT7DKPK9HROcv58UQL/8KLG+MAWLvDzTv71C26g/Ueirv+sqY79boZo/eHs3P4Qs9z1XuBBAd4kMwCxon76Cmsw/J5aqv0i4DMAhENw/InFOPxtUaD8fN2O/FAk5PySRij8SZQ7AC3s7v6zXDMA2Xx5A3ardO2RoEj/o7y3Aa6jOP1SDuT9WkM2+kp0FwDvlnr6M4li/ORzTP1Pj7j/I5UDAagsVQDJHGUCP+xXAu6qPP8QVJ0BvsmfAPpl8v0pI27+Q/U+/7PQPQGyMnj9hv2vA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 42c238c90a79ffe0285dbb5c4ed3730b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "opfbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "P1Nvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GNJhPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4uOTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZhTLPvhwab/WHCA9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAjpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "W6lRP6O+Dr5IHxC+mBttvnqdcD8MX0y+wRv3PdYiuL8ahFw+4Peqv3cxlb++dbM+2gbNv3XUoD6Ga5s9Sk9SP6qSeD9u8WM/INwDv/5NuL+tV8Y/6qAQP/HrNz9hrPQ/zQLiP7IiLL49zpW/UmwpQNR4O77qmEi/g5U0vmYM9T8RMpm//pbJP+213j/AN0A/WxkNwHtV1j5zv1S/LOkIwB8ITD/boGU/YUgEP3HpFsAirU6+AZgAPyVx0D9hZ+m/h38FwLSY8r+wa4E9sH0rv+VqGcBuj+0/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ed9c58d20be947a36692162fe09c8dd9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4ZHbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "URJyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4rA0vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GOZEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "V7IrPw+0Yr5v9Rw8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABDpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "trY0Pl9V4LyDCFm+2UPRvjJxfb8iT52/roCEPqVkkL/PBgfAPKVfvt4evz8UaYe+WvzNv+YHjz+OcJY+/zdqPl9H0z8faJY/1VxFPY1vDUDxY4W/IT8Ov4IOrz7dYI8/qi82v8J9kL66AQBAbyLJP0LWYr7dcDC+FC67v2YRyb/d0JG/6TidP+sDuD8G9Zw/9qoSwCrKCz+Dq6i+qbD8P2Latr+kEOw+fW7ZP0rTt7/0/sI/nEXEPz0AFMB+Qpq8Fb8FwNdu9j+q6lc/INdDQPLuvb9yKL8+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 61cfc1bb6a62ed8cddfd5e75afd22b26
username: gastegger
key_value_pairs: {}
data:
  {"energy": "y5Xbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5pRwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oRJXPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xyyTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YcPzvnWOCb8o1Q4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACDpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "t1deP3Azoz0V4Gi9ruI2vppahL9R86+8iTGdv4G8177L62c/fM7SPcjtsT8JKNo9PrqDv0gyhz+DgH8/WjMNwLXzBT/hGJ8+FEgdv05hn78W1a2/soy5vzK1bb+5les//VGuv4AK7b/6BKu/0MduvkSi4D+y4V6/7m77P38UlLuUynG/pp4PwI+EFT/KHka/M9JpPuTz+r+QsM0+AJVJwJgTND/+eVE/QpAOQKo76L0l9es+yYk2P8/ZCkBufxE/oiYjQGR0jL9RYEw/x0MwQN+jOj9292c/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 45a8e1b48eb800bd069651aa72135f95
username: gastegger
key_value_pairs: {}
data:
  {"energy": "s6z2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "p+uBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "544+vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lDNUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CVDbvxU6Tz+FfHA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADDpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "cz/YPnxyD74d+0U8smJkv9pgOD+oyUe+Y6uHOgqPx77u/7M/C3esvzTnTj7Mj5k/s18UPQWyrb9Wd9o/qPT0PiJfqL/GD1q/qu7Dv+Rfgz+d5vI/WAHAv3RWuj5R5oO/j2wev6XaBUCpBpO+FYT7PgwFEsCqbr6/GsXaP5YRMj8JmZq9Quefv3ODIED2O2G/bwohwMtcRb85A5k/k2oXwL5Zyb+gdu4+AhTrPxA1rT+lbk4/GKxcwIMggb7BBnM//DQpwGgSnb+BpgtAU+8eQISsJj/TfX2/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1c6169a1bf48dc43c643b74349f55882
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ppbbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "K8B3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gGAOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CyhUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "6LyGPWUBW7+FfBC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADjpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "PJYkP6xtHD7OihA+MyQNv0uR7T5d3os/EEPCv/TzKD6BR4S9iSS/vjOvUb71unu/HcK1P2vcsz9c/nu+FnCwvyPtlL+BQBm/VrRjvkCIIDzHVQLAV1bHPyBuVr9T6BI/JziSv3F0FsBFnlw+KhzuvgVNDcAgKIg/IDMawEsSPD+xM5m+O/IGwG72LMC8dxY/Kkh5P4yGIUDuXYe+RnTgPzqktr89DCW+Z1E6v3aGSMCiudq+PvkOv3LNwT8tP7E/IFQeQGCAlz/B5Qe/LDsfv+2LMr5Rv/w/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 288dfde0a266c3633592494ce60c9d6b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6pX4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ICqFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hnVjvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3nZRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KoyNPrKACb1TeYM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEDpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "H+noPgIPjz4QA5w9rAqovgcIAL5gZaY/dI0VvhxUVD9K45q/l7vLPgQMmr/tmvY+hLFzv79q4r/wMuI9yqjhP4aHZj9GHt4+GVWHv6x1lT64S72/IswTP4PWKT8jVAHAwEv8vkhYDEA0r4u/F6SmPw0+4r8MxC0/r3Xav6kFLb/J/mg/CS0RQOWb8D6pzak/hoSsPtxvK0BP2oC/fO6lv9XfMcA0v9y+bIh0vVe1aj6nWBJAxWcQQEkj6T/yijS+GNgYwNgHB7wZw8I+tPAOwMv/kb+Kud8/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bc27a2737042d2ea597ed7c6e74c8af9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qKb2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+puAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GCJnvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bm9Hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "K96YPvC/1T7FyW2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFDpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "9yZKP+ywyL7C2bw+mJ0Zv+N7br9GMkM/iviev9UHDT6YNn6+Vq5bv/H/Or/g6OY/TA1Yvxt9EcDyvgE/nmhQPmmBGj+c0Ay/hoZVv1jfGcAJ4+i+3vfzv4a17777gbm/uZFCP/GOhj/EbUA/gOASP0NCgj8ndL2/c1zvvzOfaD+2ZU4+G9DAv7ziu7/LvQDAAmIzwJf5ej1Jb+q/4IrcP/yScL9euaU+/wkCQLS41T+Ltho/YoUoQCq3qz/8Hoa+5BQaQJZlIkD0mrg/EqVVQGszOEABJ5k/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ef7d6034dd17147285554f0cdf69b0e9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "m5X4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AWl/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "g4oqvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YMZUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iBGmP087fL6XxfS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFjpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "mHYzP/nymj7l4Ja+0QijvsUfYb+Q9xu+Vq17v9+Rwb4UYLm/q5+QvzcZhb9XHY4/ndFMPlURDj/pu96/jLECwOXUFr/NXPu/XdkmvSf5yz+OCv2/bWovv1ouW7+3wA1ASj8nPjoh7L//nbm+L6fnPsB3sz91xBc/M7YLwD4Irb8NaXI/vBBcP474FT5ayyDAohzdPwXcmT+ltaA/XhsKQIrBQz61jDM++OsSQOiLCECaPak/BxvLP6j7RD9yBRBA4fceQMWxSr9OWAQ//k04QLEXFj/7tgq/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 611125975775a34f2e1d9fb8e491ed9d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "V8rXww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+kF9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "S+XtvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UYVfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GH01P9k96T6h+FG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGDpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Qb8CP61lmLyJu9i9El9ev+Allz56vB6/KOhDv9Q+jz/bvqq/IPdMPzyQkb+Jnx0/l/XKPzzJPT9XiZW+DJnjv9+uQj95Ygg/myvzv5gGm724tp0/L9kEQIFKi7++BGU/vSOhvxZ+xj/3CYs/J9MgQMrGED0VnbE+ybS+v5QMVb9Lcqm/tc68v+pi07+iqTi/EhZJwOkDoT9nt1o9UKZeQDtKpD6H680+t9ppwMd/+D59/gW/coRxv1PSib8GOgnAvlBCwGLyCEDQVxa/P5BxwG29xD8MnGY/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 40a796f5a48ba1324b95555eb1ac0d3b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lZfRww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JuUuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "he4Suw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bJksvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jKG8PkgWUD9Bfas+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGjpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Wjz4PpErXb0hZlS9u00iv/PzIb8VazG//TX2v/Wjhr6aRn6+M9OxPjovYz9GnHE/AHMOvpt0wL/dT9S/u/Vov7Fpnj8U4q0//7DEP9u6rj+Uer4/wTOiP8ulur+/Mcy/40gPQG5IzD9uV0s/X87RP6E9Eb9XVhu/mJMDwOX+JD+1OkQ/0vmxPyg4CUB4VQdAdYBCwDIpbz8mMI8/gwgnQA9+n75vG2G+i0v6P0GvAcCQAQ3AML6BvwkW/j9FsQhA0kQywGQuN78sBTm/0kA+vxOOBsDWmRTA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c2cf28fc1f00cde6ee3880de10627b31
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dijuww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "niNyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/p7YvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vg9Xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PQ9uvmbauj9nLBq8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHDpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Wm8zvo5/sL4E+QK+2h6kv7DwHT+LrP2+4UAiv0h4479OSbM5JnhpP0WbA7uluU0/JnHnvz4vGj5sI96/7WSdP4hL671m9hm/cVXev5ZG9L+6KN08JiLlPesjLsBAYIw9zWF5P/9xoj/U7r8/v0EsPm2FpD8iMQ9AXrmxP6MsSz+txJa/4KkDwKWqGD/sgJM+SHRVP7lLHUCmeTs/pvDpP5l2er+7YGC/dZPXP6brKkAxG6w+61n3Py2Poz8GEQJA2uBmv5fd0T9GJhC/nVQowFkIHj8K+fS/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3b7f9fe2189dfa628bc7243d98e46d12
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BpTbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GAdnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kQl4PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "voSSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AybwvRrd0b5HWqq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHjpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "5YNNPxxh5z1dA/Y9Bx3mvnx37T4AzYE/yDKtv3b9XT7zH2i+4XCgvvK67j8arxc/bTAlv2p+jj6zjQRA0X8Kvq5SjD8GICe/gyK8v5rlkr895TK/xaKjvhDB9L8dzo++zPZoPz1bmb+hGce+YuvrvumVDMBxfkU/NQ5gvlJCNMBP2mG/XYwcPeMi0z864Mm/PyrKv5sulb/8ndq/DBsLQDfxFj+QzAk/XE8IQCxxzz8qnGM/21kTwINlQT8QRVe+skUkQClXTL13q6o/HAI3QByPBj9TRp++", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6190fe6bab3a171348588dc97b443194
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z5u+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FCRWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "le9ZPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/U+Gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FR1JPWvUAz+LMgO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "pFdnP/ohlz7Qkde9OTxLvvVvqT/w7Am/pL4zvltSRb/XVHe+ogvaPxpCNz7yaVi/VBuav+qlWz5E5xO/yfDHvtrE/7+3+wo/LO3Qv0x2lz3tUL6/cIUNPQq4A8D9dGK/EcnqO4il3z97xMO/FXi1P5EhyD6g85k/jnG2Pv1HFcAWuaA/hbILQFpTeT/Ey5g/V8oKv8cyG0DZ3OQ+XUgvv1PRAEDzT7k/wam1v6eqD8A0XEo/mZeEPnz2SkCpxfs+MNNCvzqsEsBw2by/LSO7v5jGO0BtaRQ+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4338c8cb11b174803944fd508f75386e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "R7zZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LpBAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RdWvuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hBE7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0ZHsPmQjpL8JOIC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIjpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "nr9yP+FjKb+g8Li+ZA5VvarL2L/EEk6/vbCyvx2ehL8/mY6/aEjkvxjZIr7XoJ68VDMuvjkqHcDZ0Ly84w5iv6nxPT/OhAM/QmQKP5C66z6Cu40+CxSov/xx9b675gPAdhG9P6y2tD+FHUM/NMQSQCf6db/A3/6+9BAvwLa0Nj7aJz+7ageePrqnDcA6o9m/pTcBQOOahD+Np8Q/C6ZzPzwMDUCv+Y8/eWOgvzrV2z8BlZQ/CtQKwJob5r++eZ+/ZAsiQAJxx7+wY6O/cA45QLsSFb6mGty+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fa85b0304c232f64fc0007c6ed02da05
username: gastegger
key_value_pairs: {}
data:
  {"energy": "E7nZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EFtKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4c/wPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DHVovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2LZIP4KoezjG4Zw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJDpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "SsnfPvVUyT67tcs8JVZQv+7wGr7cdaY+TEyqvwK0CL/0H2K/Yfipv/8Tib5vQNs/YfkFv4D7jb9tACNAl8wXP80qjj6YyKm/LInnvm8Fir62iPS/spirv2fyMj/Vrg5Ak3evP28Uej/ngXc/2aQSwOXUfb/l2oi/aJfsP1ZgVT4PV8o/SmRZP3lr1T/GKtE/yIQXwCqpHr8JgNU/Xe4HQFLnxD/IUtM+KiLcP6RZRj+iE/6/Vy3cvmvh+b8UrgVAG7ElQM5itD4D1ta/wzHOPyVhID+sxD7A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 63cf2ee5ad662d4c0b28fcbc29773af0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pZvbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6s6Dvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qgzjPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tf+Rvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5Elav/7U6D67mwe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJjpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "NN5WPmAOtz1Dqb+9HQVQv8PYUD7KdZ6/IAXdv5ukgT/80Im+N1QAvxmFnj9CjSQ/1NUdwHhjuD6QiFg+dcgTwE0wDUDwjTu/S8wfv0HqkD8gWNw/K2pGwH/U/j8jVJ6/UmkUPu4tmb++gR8/pDjBPx1ksL/gOf8+ORMavXTvDEDuFtQ+GhzdP5dqqr37yH6+tHCXv3/IO79oDtS/V80PQFoQFMAjKGQ/1X3aPxEZQsC/B7A/WIzivvEfWj+4ZgLAUrcFQKZdTr76v6K/GAwWQEsyJj9kbIw+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: aeec23d8453b9eede226f16642727bd7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Q6G+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iKBavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ml7iPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "W+x2vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "euRPvyKmVD/Pazw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKDpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "/Yk7P8eiu75xirI+O94fvwhZ+L6y0RE+0pAGPw1Saz8hdJU/L9t1v6jiVT9BKy4/Noerv0nnrL/gTkS/Xo7XPzh6i7/P7pm9PawVwNcGxb+M3rW+kh1Ov7x/E8CHVUa/0A0eP0BmPj9ixg9AcKioPxLp/j93Zjw/alzfvwcjVT/W/bg/CzaiP1G1LEAFbbE/QOckQLQiO7/X9IQ+AgKXvwBizD99hqC96cO4v0ndS79DTQzAiw/9v4GOIj6bgg3AaujkvuLQJL+KTCfAU0/+v/tqv7+ncDXA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d319f673d00326bcc4f8c05b862a70ef
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O6T2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aFt9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MSSnPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9x+Jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QbxOv671Pb/7roy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKjpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "EPbQPj8MOz7512C+8l11v3oRaT+AqBO/25Glv/v/kb65ubq/xGiDvvC49j9gp6a/BJy9vN89fL9R74u/CiCqvx8Yur8/DQ+/hADav6vFpT+lTfk91Wrnv9o1ir5rRBrA94DOvw/wEMAfmI2/sOkaP5Bt0b+/QNi/s8eCPwEdN7sOxoI/kD6EP4kFrD8S84C/zG+7Pli3Nr+qhv0/KsAmv5pqfr8goNk/DNzQP7LT/z/Xwru+Q5R4P0xAeL9ouENAqGPMPxvxij9eefS/FnuyPtCgvb8ll2tA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 371b79ad8b34c0dd3b606694365642e6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oIXAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FomBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QUeLPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5lqkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HZTwPQIrp74Was09", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALDpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "mUVfPtK6xr42O+09ovlAvz1xeb86EmW/DprmvukXvD4IzqQ/Yvmhv5c87L+1AOi+ztliP8nxej+GApm+tQCbv1cguj+Ptz8/pWdRPtFy0D9y62g/yO/Bv71GZL7YtpG/Do0/v0r2tLwjWxBAp+edPz2Ctb926Rk/F+ITvJ/LrL+YJAPArtwfv7H+0b9yli7Ao/gYPwGGsT+Si6K/jc/8P+jLcj/be2e+4vs6P8v2EMDuY4o/HFroPwvU5r/eL3W+6DH2P9Uxe79bR6o/MeUHP1+VHUDxosI/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ca06e657b2cdec70a3692a55dac4ba49
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HAXJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "F2V2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nZ2MPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "81mevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ogsCv3C2OT9gk02/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALjpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "QMhIP9fsnr244uW9Z4ufvkwsMb81T3G/hjnQv0scVL7KYuG+BzvgPRS5Sz+xRWs/LHqYv8jZyr+17Rm+H9Gxv0iROD8nQjc/4ZEmv/4G/z9VH8k+G7QFv4tJEUAFIya/bpMQvrmdar+utv6/rrjTv1WnDsA6tkm/tmBHv45UNUBGSYg/TFkEwEu2MT8Zzsc/sOsNP98EVj+o5/M/GXsdwDxPL72I646/zIPvP44bZ78bw50+/SkJQJmlIj4s3Ry/M7waQFKZHb7QWs+/zi4uQHbmfT8zJFy+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bb6a906d55fbdf60c99b7867441438a1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WJzbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "S3SOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DOavPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rHKZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IchRP/cBCD6q8aq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMjpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "kKmgP9SmTD122em+msFrPhzoWr8vxYs+pNq1Pt2KpD831yS+PVG7PyAdkL6Q6Pa/jEhRv609oj4OUzc+0y4xP7Qx7D8Z/zU/spa7v3fIKT50tC+/ir2YvZx54r9hUIC+5HzOv/kUDz8/ma4/IkwOQDLSbT3Swk49K3x5Ps4Rs77+oCrAkeYGPUUuBz/+vz/A5PgwP8NXjr+PfMk/VykOwLHFNT8ClBVAZqgTvSErur+P2gZA82crPm7u/T+xxnq/XOAJQO2m4j7qZhjAG6v2PxGZor8v4wDA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2b3f66c72cae5cfd795e6222091a89dd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vZEFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qcCBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WilEvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/HZSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pdqnPZ57n76N0TI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANDpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "i1MQP755KD4d5A4+Lhorv/ja9L5Vb10/YoUWvlaqPb7ObZS/cA5+P2JAzj/infQ+V9y+v3ctsr7YH+i+W7oAwOUCHz8ETs6+rLn6Pg6hAUCO6a0/jsVrPsWZA7+9MxDARkMXwLalrL9HwV+/52L4v/6/6L+lR82/dF0CQL2YL74mQ84+vBCfvz/vVD7j4vg/Fg3zvteMxL+UiYs/RplwP9v5FEDhHrO+d/MVQObGmD8ZtEA/M6Q/vwRbFDxQxy9AF2AOQHoFXr9wfp0/RGclQNgyAb8kV/m+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 442aa55e5f64335e388132bb3ea9a1b3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "haz2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0hyBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "85PqvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Judkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EVO+v4zzlz4fhTO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AODpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "gh5UPylXaL6fXpk9wek9vX7Cbb8kDWw/2vtMPhSF9j3ql6G/Ymlyv73Gkr9FYwM/NYsBQLKLAj5RTJo+WzgUQOanGL7ej54/hhlyPtFbsr/jngtAA9KjP9k9nb+KpjFAqKuSv09x1L5Zpbm/OiDQv9v+ZT9oBua/vlAev8R8+b/+GydA2LlbP4Wwar4P/QPAqMuWvkLQxT8ct8G/hLy/v6sG6z+IZiS/iPwUwBZPeT/UiyfAS5KDPueRE0Bo9wLAkQrIv5GZuz/dmsA+I6P2v5CINEBq3ku/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d6d2bc54df92e7b89ea4500d5cc22b34
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Qiruww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LgGAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BrmLuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lKR7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FvsLP30in76MhFa+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOjpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "1u5MP1J6Pr69HAs+i3eVvnybWD/NpIQ+2wBpPhdKyb8T5Zk+eE/Dv4IYQT2ji0i+XNGlv62Hqr9/Dd8+nw/kvgSoij8X6ak/En6vvZ0DAkD54+++wKj3Pm23CsBXHhW/7mi9v6b327zYw6W/fdfLv02/o7+Ka74/V7pYP4T/AkAcrDi/kOYpP2EoBsAJ7pM/8H8wwEJ8Fj/VemQ+7Ek2wATguj/B3TS+pnX8P58mOz7ZJkC+6b/yv2ojB8A1wg69BCE2QGGHZ7/KO6i+E/pqQKyI9r6wUha/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 34e0ca04a788ca309dbf067bc00101d6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "O5EFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0bJ+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lUYMvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LKFbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tOXsvtWytb3Sb4s/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APjpRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "KB3cPvzWu70Ny589bbB4v4fuJL/zLdO9IIhDPnKryb+fQEg+QtPwvw3LnL5SSmg/djzIv/kiKL9Ke72/D9piPsjfAcCmCZc/bI43P+lUMz/wLqk/GzCMvxJYnL+L3RvAHB6iPtHnlj5hyA9AQGqBP9iJCECugZ8/gqWGP3hf0D67toe/9E0CP7nwC8A3UCS/CkghwDLat73NO8S/No7+P2Qf/z52+Va/U3YEQCkBlj8Vq7I/yrx5PyNTKEBzoI8+//5UP8eqMEA/dAdA/3kZwMJ0i7/UQ5A/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 68de761087b48e2d14c62291c76f0e0e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WJIFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DYl7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UiohvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "eD5Tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+psAPxA7kz3udyg9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "K63/PpD9MT1Mp0c+6/gnv+YpeL+OYPQ+BxKTvAc2sD+byC4+pR/FPk67Bb94JaG/s7PkP4kT1bwLcng/46a0v27urz/4RFa9+Pnlv9+FBD9wro2/FayRv/byPL8R6Hu/nakcP4kqTz78hQLAuNpSvxPf6b+qvKU/l6bavz4XwL8WgcG/yTr2v4sNhz+lW18/E5jav3bWGEAj8qS+hRVvP1Fcur9X57K/NE3UP9l0Bz9gd/Q/01L9P9Exir8ejJw/7YM0QEYBBT8e4Cs+5GloQM+YCD+DRC8/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fd6d76c5d02c7873a0bf03c87b9a503f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Pp3bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KJ5zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qP7BvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "U15bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nu8Hv6pDbj2yLi6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACDqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "lRGJP+dIVr5b1GA+7nmTvYU8jr70WaA/TmgyP+z2c7+HSHG/Gp2fv0dZgz6A+Rw/z890v4XWQT9yRzO/ac75vsmK3b4GJ8a/imFAPlMIwD47NQZA2Z64vpGx17+lGuA/3aJlPtJW2D/9QBm/xsmlP28Qmj/Qj9S9D/o7PlXRLkAH/2q/IW0Dv1OeF8DdvGk/0a2hv8Kfmr8U48a//Ujvv4lkmz+6fYq/3u2Jvq3RCr47NiXAQrb+PwqBKr8D2xU/EpzzPqZVA8CgpRZAyAOhvwiN178o7RdA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 406e3bb847ec13464f4dc320f784fbc0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "44bAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mneEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "n1VmPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TkKhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FHmSOzSiRD8vNC8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACjqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "IuVhP1/eJzxC+A29PZS8vsaXHb9Tpxk/98x4v117Uj8StSI/KRgWPsxYqD84mKq+Llhcvzyaoj8r29A/S7cTwI6iYj9tL0g+7Kpfvutnqz/ilK6/jQknP1JcEECGGdW9N6reP7EkKb9IAHG/ZbMlwG8j5z8vS0o+UnQSQMN1Tr40pps+cBwkQLczfL95GoE/2xaMv1sqzb9OeJ6+BL4/QK9vHz84e2Y+lFpXvlPSh78dHMs/oE+lvyVDlr/huKW/DWb3vrTnH8CRkOW+8HYDwEhY8r+6UP49", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 269c6fa1bfe244ad93fff30e4af17999
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ibbZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RWZuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/rTRvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pS9Uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "W7Z2vpgXED+L4BNA", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEDqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "MWBqP3MOIT8KAwo/KvYgPb360D2cZMk/iltWP4GwgT7VLkq/Jn7lPyVMhD+Cn1Q/kOqrv/Mt0zyTZnM/EC6qv+OOTL8pVFm+9r7Yv/9phD8inTE/DW2uvuP6IL9pypK/oPoDwLB23r5r0dA/4sDSP5pBFz/K59u/1q8ZQB1Klj8Ciay/yo2sPgnCar+xK+8/jz2DPdiogD99WzNA4LzGvv+Gnb+ccBDAoz6HvskbAUAbKCNA9v2fvyWf479m2hPAEZ6JP3aYiD8a2U1Avp4Wv4DxGz8ycWVA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f0d65d2885bed240b12ddea53ae7129d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uw3Jww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WMhMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "U8zBvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zo40vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YXGUvwSQOj4fnZo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEjqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "NFtGP7lTyb1kMKI+Mo6Qvg5KqT0AB0u/+edWP0DQhz9JaSi/MJjFv0r60j75NIm94heVvlLQFr8Hu9K/iXAcP9wiA0AAK4y+/uusv4pF8j5/nKE/64uBPZzG5z3vhtM/158GwHkLQz/BTP4/ajrjP4Splr/eqyU+OXTXPdL8Tr/vKxBAOB0ZQPhgtL+pqlq/Iz0NP9D2Yz8PTxBAJTkswCxnMj9V+ku/M1X2P6pu5r+xSYk/YA3SP7bafj8GULG/MsMvwDOwej6qT9m/JK9jwPh0HD+CKpK+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c1b42e92b4fbfd07726bb2f87516ec57
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zp34ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EqKEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hbBavQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "A5hSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7xufvY0LH799Io+9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFDqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "U7uvPtKht7269OY80sFuv1eeXL+reju+L4zbvanSrD+Tg/U9TZ+7v+1auD9enpe85lsTP+F2FEDLuZM+l4uiP0RWI7/dW5U/knUEwKpIIz5dVlO+7rS/P57Q3L4Hx3m/YXEywJJlEL2Ylhg/+3QmwOzGCT573ZS/fIKIv0ZhA8Aj9Z++WFxIP4phob8HmPU/JhqYP81FZL/FJfW/VfrjP4T5ST6eINM/+RQJQLJtq79/9Mk9MzcFQOY+8D5SgJa//MPsP/xxGMBQRwi991lOQPHBo79uwWA+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f4a1997b58add4322dc1f6defe157b21
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jZL4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/feAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qfoVvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "T5B4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "A30yv1ioXT89fv8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFjqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "jM8mP5Zd8z1LnyA+cPgbv3uOgb4anH8/ohC8v5X6QT+DckU+QAJpv0ZJpL8me0I/F+Vzvu2xhD984EC/ziAYv0HdtLwzZxhAl0Spv51cDUA1xRo/Fd6avnEYHUDRpGq+wbt2vtLQVj83n+m/19RovR7YMr+XpTNAXNuyP4skLT/sBTk/g/GwP8+Ydr8tV9q+n/kbwPkl0T5Kjyy+1aVIP7JS47/uqKi/e06tPo4AVECfVsy+g8GCvv/Qvr87ice/RRjqv+DQMkCHVK4/FiisP8XQLcAmiea/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9f0167f9a1193cc0b6edbc4fa8920cd9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fP/Iww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hq5kvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "E+6VPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yNKXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GQTWPXxh4j5+GHE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGjqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "zaUqP4axGL6c3YS+lRZYv1D7EL9CfLK+Nluav6NBaz9WfrO+Dok1vzbZor9CpoI/Q7tyPtJmqT9LAZO+PrgJv2Asvj9de8W/hx9Ov8//HUDKesy/7PFAP8TpV7/GX5A/L57OP3KYt7+RA7Y/SjQEwBG7sz+XG8Q9HqAxP3RlC0Dmykw+pRiEvlSds75TxgdAPnmZvyIpl78xUJa/FqLIPxO2Ir/KRJq/8b+Svw8+D8A7854/r4wdQPhE3L7DtGi/V7gPv3pwMD9L2glAoLhEvjKsUb+mVUZA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 423457d86d966cf40e49858bffac64aa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ap3bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5Sl7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hNZDPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "p7ODvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pTGqPtLjxz5w6+69", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHDqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "9e3KPtqQyz1gu/I9+3w9v7LmHT/d1Dq/2D2vPueSNL4ura0/wq0AwCpoRD8+2Ys9MaDKP79si7ze0gi/I8nZP+nCEr9RauA/hXIhQEOABr+VHuE+wkY3QKMRwb94L9U9DicFQDrN7j1E6yBAbV/XP9URyb+Z4QxALJH4v1sCuT9O6mk/YStYQMxGHT7XkPM+xX3Wvid+zz9Cz4e/FlZbv9/ZeL7J5ey/AQ62v448Rj4iuh/AC4hJwK6DGT6yQmK+/txNwLMxDb+0zIW/D2aBwAN9nT43Q70+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 82108b676f67444d0a7ac2815f6ece7c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3C3uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "umaSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1zOEPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "96mavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YwthvmFx+D+1FdO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHjqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "PBpCP59UJb5K1bW8E99rvu1yBz/BxHW/7y4WPaZuLb+8Xp8/0TedPwvefr9PxAy/MBoUvkbsOT5+svM/cQiXvxZWq781EXQ/1YxNv4wldr5gq7+/EuRnPwWOzb8QuP0/fHTGPy0XBz/mpJQ+IUbmv/VuIr+d3jc/aQeQv9IvqD8wti++65bNv/4E8D9fPku/UZvQP7F9E8CzMSNA5EnpPsbYtD+esf6/1LCPP3n5Tz9G+CfACBSHP+4zC0Bthry/Vj8Xv9XXAEAm1i/Ad5Vwvo0YMECn9U/A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 49cd5f3e51482b5f44feea2d11462813
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PCrVww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "j2xuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1LahPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/KOfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1zRPPjnWpT5yM0y/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIDqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Zdi3PkEz5z5qbRG9Lwlsv25fgL4P7aU+PuytvxyIEz4flp4/BA48Pwy8QT7okYS/2bfnv3vgR78Vij+/juuLv2LB179K2As+50IaPoRD5z/qaag9BiShP7uVJkAw9aG+6EnDP0RNGkBUta6/u4O6vyJeL78oOeO/SbetPxxOQz2et1o/9MTJOamMHsBKfNS+WvQ4wAuDPr987yK/VHAIQGtDGkC4kKE+kf1zP0c0aUCXFVa+EyLnPnunA8DN1Km/b8JIP+8IJcBDq60+M5HDvnc0XsDK+ii/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 51c43ba2746ac4aa43f99470ddc86164
username: gastegger
key_value_pairs: {}
data:
  {"energy": "V7fZww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4xhpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "h252vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+7FZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Cp3nvpEPar8vo5i+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJDqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "nNdaP4RYkT3atXw+MVO3vuPpgj8e3RY/cDkAP+PC9L6hgYW/q+yWv6E3gD/SlB+/FhSNPyIviL/jVZk/EPMjvzpULT75Eba/RZAGPVMwAkDuIT8/xnCGvx6zEr4GAyzAeKHUPuoA9b9PCYs/U54/v9X7hL8MZELAeHAAwJNHyz1X9jjAmm0CQCwjgL8vYQNAr7TjPxnVJD/zug0+C/CWv8/EIj8JAOk/B00DQM1O67+i3yhAuyfOv1FPur5gIts/WY8Rv/9LKD9jji5AoEIAwBLJqz+COPg/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d5941fd303932e05132bc79d4f5ac858
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wxjTww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "42x6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XBxVPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/dmXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "N6Z3P9Ei2zwYzyg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKjqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "pB11P/4r2D4+cDE+7vh+vsJomb4+Cfa+2elhv24neD9stEW/vvW9vDLXV79FBLS/Y7vEPUst2T8BspG7b/SIvwlkmb9tUtc+1xK7v9FnHb/Ty6E/CKTQvhLT/L/VHlU/hj+WP+8UEDr72MA/UlgPQIDVxj6JYSS/Qf8GwNjM4L/fp7y+/sYtwHAyDsAJ21s+LCKevm/KBEDJU3E/9VAJP7WZIUDyfRK/2K8AQHeiuT42Sug/iyUDQPqNLT/V3Na/+ecqQN37Hb8vFyK/6ag+QF4Ziz/Wq2y+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 388ee186e7294b8c2b09903350e1dc5b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MovAww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "T5V/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jwCOPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "y0qjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NWNJP9EFtb5BSBY9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALDqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "shmoP02lOD6KRi495oqLPvBVnz+OJMc+kpwoP0uld78GE0C/hBrWP48yab7iBn8/hoY5v4Gsp79pH2++WPlFv/xdOD/zRps/SacSP5+jMb+xlue/GG+xv71+0L54tTc/mcEfQGAmSj8e+DW/WUnlv5GL0b7WbyO/8uEgvtSi1j9INAa/or6lP/fH7b/vVDW/sdsHwPIeQ79Kpbc//7QKQLiZoD8pwtK/OgZAQMMtxz+W3Om9xSNPQOd4zTwa/Ha/0+M3P1FNA0DMnHk/mZOBvzkNF8DX+oS+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c9a82d08f6d8732e16fdf093ba6b6754
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Lgisww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ec5mvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "x/SEPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bqSUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Rz2AP9IY3b6c4Ua+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALjqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "AXYsPyQRQj4A54E+WIQUvy4C1z677pQ//kGfv8TrSL9hxAw/EbwIPBvzi7/Spp6+oDHkv0PJDj9ZAr0+0azHvwg+eD+FlAm/gCMLPo9y7L68zNu/XBrkPtvtBMDkew6+e+YLPwFuVD8Jpou/HmgBQE3FXj532mw/sGkAQNALu765AO0/aDjyv5YHxL9KsH4/TCwSv/plSj81yQtAGDkTQHNpnz9v8Zc/YF6zP/8hnj9iE7q/lelFv5vKxr4RzxTA8GUzQJ8XRr7l+I0+VQNrPzY7cL/+bhTA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f02e1509def14a56a131e12a15404207
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZgnJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hT6Avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GxChPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "h0+Kvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "y9YSv+WzjL6U3nc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMjqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "B4t4Px/nuj1bMYA+K5umvoOZDz/CiiK+sH/AvxIuUr7eut8+ccCFP5HwxL4+s5E//qKRv/bqsr4LeoS/pCMvv+VapL8wRKu/jdyiv6bLor+YUK4/EBcYwLQ+zj53xCc/dzWGv8lyCcB5FApACm7nv5Joxj31Q+G/nHgEQAeDHT6rkAy/EHLjvsjvA0B1LaW+gRY8vjDBJEB+rxs/s/ZtPhicGUDmIY6/DWBgv/XRO8D9ejZAU367v7/VFUDB4Bi/okoGQBqXIj/Z6dS/omw9QDPdkr6wv2i9", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2afd28ec84970ef1d015f858ba175a53
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UxTkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ck1xvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "AWvVPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "af2Fvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "M1DZPrzoH8BivhQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANjqRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "YiyjP0T8n76br0i9K1mVPvhLYb8x1ZW/UNcOP26OTT87KCY/HauEPyBEi7+eeqM/1/oRQLBPsL2pf82+rgeUvlqBjb7xLKA/jiadv8hAWL/Amb09kRdqv3abh71roIy/b8QPv2QSA8C8TR6/yiNQv6J+bLwe6ApA+w/7vW0ROMD+CYm92AuBP0kAC8BS7aI/r47ZP9h7O79tJARAmg2cv2CdG8DhDLO/4/M6P8g7ab8+wgrAXdH7PdJv+D+Hi8E91H8SwE86V79V3a4+XlQkvi9dQEApAY6+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e905f7412ed77f5867ae6eca2dcf787f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ua/Zww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "T+t2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xLDDPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tLCHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eHolvgzlpD97oMU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AADrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "0T0iPzvpHL6O3gq8nIgHvwbfMj/gelu+gmGlv86QFD9IHhQ/j6+Zvwu/wD4q4b2/8Orfvx4tDz7qPh7AgqOTvX8hC0AMa2G+t4EqPwqREkDaNoK/5fBuv5/aM0CJvOy+n5MRP1WTHkDfcoc/yPawPsMow7/A4ok+zi2aP6GvUEAajnc/cespvvB4AcAUHA6/1kqYPwYZhT6NoTw/qZpFPguMBMAc8dA/RZLvvbviLkDsb+E/wnWTPgZIs7+zDR9AwP+yP4q5D8ByWlw/2TLCvjK4PsAknec/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fe2d5514e2c54c7757635aaf1994364a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nxCsww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6BQ0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ofNaPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0NFqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9pfdPLpOAz6Rm6G9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAjrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "AtLuPobIKT5V+IA+EctOv6MFKL5gMjg/hVyBvxg+Mj4tSdM/WIvnv+HLBD2TPKq+M2qAv8wM+71Dhs6/76nsPtIUurxyDZy/oE7yvWg9qr+9v9y/otCYP++OAD/+6ui/qn0nwAfzM79e13W+jNsQwCZzhD+xwJq+Vpu9P7aeFT9TmoI/WT57vmgECcBsAYK/+oswPoCZ0b9QRC7AflSjP5GzRD9achtAui7KP8cwJ70hwD1A/z7nP6J+xz8c3DFAO1MdQL6DQz/2xhM/UG+wvxyUsD5a/yDA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 978d511c741292a32e9ae0308b639c30
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BJQFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UiaFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+11YvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JTVUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "soWgPWXknD588jA8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABDrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "th1TP19Zy72lyKi+djC5voSsUDz7Nik/++0NPtV2hD8NR5G/VceIP7lutb8RLYG/qjkRP1YGHcCLPCS/UR/fP+AWsb/UqvG/CuyRv3IdMb8JRLE+XbYxv/X1tz9EWrk9VNPiP+QjhT5EPr49Ra1qPdi2pT8sQxPAViVQvTF7Kr40wwhAtncSPxudKT9fmx9AkM4xP1KDrL/s4BdAbtQYvm0oDEB9/iw/1I17v8QKGL7pMS5Aq5mmPjKgA8Dvfeo/aRoAwPKz8D+1oKG9CkcVwET6xj9Ukmy/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 824fbdc6d54dc589d62e2e955eef02ac
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qaO+ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "iNhwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uaVVOg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Lq5xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "N2wbvw9Fab9y4YQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACjrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "G+hmPzAsAj3Qei++CH9tvkwhar8gY2c+r9owvxhfo7+hyzO/4M+ivy92/b0Fj4M/keyyPqnymD8rDn+/4RKsP8YJ3z5JdUI/nTwOPlj3VT/0wQDAbxTxP4aWI79mQ26/F6/Fv0S/nT+F4NE+3Ohbv1Te6T9N6vO+fbX5P+GBwr99Twi/WnyzPpSVBcCkemM/5YGOP6pA/D/7yI2/zhccwDjw3z+jL0U/fmNrv/sm0zx1zANAw7YNwJSRLb8Uzo4//uQcPwaH7r+mK+w/IeugvhmCNsDITnA/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e3db9b36df42ac91060c343b86e2cb89
username: gastegger
key_value_pairs: {}
data:
  {"energy": "d5rbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0jaGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BTK7PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8umRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "98xCP7xXNb+mfj4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADDrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "K1CVPzH8Fj5Fv3Q+FZx6PFyJIj8ZLTS/kGiyPrL5lb9BWgc/jgBGvz1rKb/qOcq+R8bivxmz6j2M/Kk+F0WPv1AUpz/JK/I8/ke2v3RSH0Cwypw+YqISwENgIkCPDVg/jtDPPLDnpL//Ask/VOZiP15bF8DICKI7eA6lPzLDSD/zNY8/1PGavyjzrL8T2I6/9guOPoxggD/Txdi/shDRPwW0KMBnWAw/XHMgQDyRXb3zHui+EFwaQObUNL8Mmam/NX86QC4xaD/+3Ue/Ci9PQGwpAr8rV2Y+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eb033e7c9e5db80bbf7db12dfe39b865
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nJP4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6UV9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lwM9vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AwVOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qkiFvjZZgz5mg7C/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADjrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "O3U6Pxb/zz5vZPW9HWnWvkSoAj9w0nI/pOy8v4tB6D63NEa+r8W0vqxcFD8aTpy/Y8m5P5oGnT8rcOm9HIy5P9+eZ7/0IXe+R/iUvqa60D/vDQrAEFCfvqfajz5eyCnAsMwcP6QDZ736pUfAEgqYP/4r87/TxMc+4+ucv1DyabyqckrA7PwPQKUlar8jv4G//Ly/vny5vT9ZpLg/1nv/vxINAr+gl3m+XG0NwEtWoT+J+ly+L9gAv0fcC79+KwJA85yEv8YZvb/nAOA/qtWWvZkgwr7lbklA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a73af17ff8c179b73da6046865460763
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hJP4ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TRKLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9+XMOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5UWOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vAXSvQggVT6OHu8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEDrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "PnuUPmI9HD6K2K89oVaBv5JvLj+mIjY/cE3OvzdeOr/KL70+/gc8vnm0g7/4g3I/pm3evy1nb7+6NDG/T5nBPgyVobumIK+/LoHVP2AWUj/MT9k957/xvimPWD2ETwJAg8XHPtSvCD/BIiBAKKmav2s8Sr4fVjNAjRzPP7eNFj/UdrO/axu7v9Tl1D9OCBI/9eQwwORvmb8GJ38/qX0TQIbAST+LgRbAEaudPj8j/78ph4k/YLQtwMm1hb/bA/k/+SDZP4iy7z8Hksk+WdUdQOBwjj4RaB0/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b9b06db297fe53a03a1a3d468c38dc91
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iZ3bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4Ex8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PbblPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1IGMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SL9tP5QTgT8tWxO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGDrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Ri6oP+6ysj6qkku+sMKGPkUGWz9VOp2/tYUDvywksT9DrWQ7rXJpP3jDaL/wC7I+jRBeP+tnwj893zQ/wsgvP46H1z84BOi/xezcvvk/dr2VzQHAXQfGvk8Qgr9UYUk/+aZpP7BrrD9HT+Q/fkGxP0GnHEC0+eo+DriivyKVWD7xjiE/lEqSvyMfEUCTt+m9e1NKPrNKE781zCLA2hVSvzN/BcA4lqY/uCAIwNq4mb1DY4A8L0zUv2wK9z5VCc8/oA2uvbzeMsDEw6g/vAYXQGZUbz4WWfi+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 58d9a29d0261244447ed2d577e8c8424
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VAisww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SGxnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1v6OPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2nWXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dAxAP4Wxhb5aEsC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGjrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "rmcwP9ES1L0KJaQ+1Qcav3iFt7x/xJc/ZyOdv40Kbj853FA+0y7RPOkkXT+qyDS/0ajov6U0v75MY/Q+VVBBP6j5m78r00e/OSnsP/I9nz5gCIk/mdUbv/l07rwMWRFAbvTrv9lE5z8+bb0+ejsEQGbFvL5dqeU/isTYvyxih79PEYe+bXMqQIZWwz7tPPI+N6GpPXlCd752S+a/Lexhv+zbD78m3QzA9z/4PqIK6j8t4mu/QFE5P8MGkjxlNynAr/xiPoCsCcDD6BG/95TkP52evL80YYW/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a0ffe194de0d6d100454f240aed44003
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jZnbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Cixwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vFruvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "smBSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "VmUXv0gW8L20yFa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHDrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "XYhYP6YElT24xEM9QMC6PG5wRT+3lHO/n/SwvysauT5b7oy/mfz3v3vYOL8jkki+UP9qv5YSyr8abpA+7KXDvjl6WTzW4QjA6IxYPf/jVb8epH8/xzYEwJsxmD8xQqS/X5Ccvby+g7/ZdQzAbVmwvjVkDz9550TA0dQdwMpHhL7mISc/T9IpwNd1rL8SvTy/SzrcvgXbbL7H8+M/S6w3P7LIxb/U8b4/bFLTP/1ajj/h7lA/2FTLPzQOCr+ilPi+W1UAQI/oeT9j9Po/RJ3xP7ZgAUADMmQ+", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f216e107387c63542d7c16369de03bd5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8iHkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "seBOvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6NxtPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gL5dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "n3HxPqG+RT7nOo29", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIjrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "u62GPtIfyL0nwMG+H2wcv2X5rD39BCc/yRfiv1TZE79KYf0+/TrGvjZ5Zj/hAuo/7bh2PzVexj8wfeU/G5XRv2jrmr/89Cy/RvjFvmpHcb/+ZaG/3jgcwKoN6r9Deoa/ltIePnRCsL9xBhzAr7/7vjA4iz6sNy5AHs/NP1oWDD9bRdC+sqr0vt6q+b/ZRDjAzWDsPzy9sj8tME8/t0uZP7teC0AWZylAr9rbP+4JlD/8Vai/KzQZQC9PXr7aPfq+PxWXv44G1D9JCvI/q4AzQGjL8z8Bdl0/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d1a26a1fbc2653b1ae88946a4066a09e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KAvJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rd98vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kGVBvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VMlwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "rWk2v4leur/CNAy+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJjrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "GZJ6P6Qt8z3zpxg+HZTmPAyulD90hts+a4aev+dkDz84A4A/AQKOv5EXcL8XVlY/OHOWPnMulr8HiJs+b908P8QvO7+4+oW/jfNeP0Q0+b/HzU0/fpIGwBFMP744LP46+tvav3+Bhz8BP+s/Hbf4v6sJUb0kxYe/Tk+8v+I90L9fhss/+WxJwBkdlb4tg4s+v3b6vLAAw77oe92/Ffr6P2pqpr+n39u/D8KCPvgnFUDwBYc+L0gsQLtj0L+7w3m/n+UbQMpEDL+wphbAKTjYPzPwCcBcGhbA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3fba04843b46683ac2f77c4ef0a2cdfb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "M222ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xsRGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jjulvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VB0yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nnvPPUX11r6DLxy/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKjrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "uPpTP0tEFT7wkS0+OX2yvvUpkj8Q+cc9yJqcPtoKj7/Zz14//m4Ev/Ratr/34bi+tk1XPk6Npb65b5m/ShEJQMMzJj/7fNQ+rE1VP3aS4r9G68Y/VI/Rvpz2jT/h7Li/vjkPQLNzzT+1mLg9vNxdP6W4Pb/T2fu/mPy4v/deGT/Qni8/sYuVvw6dUb/5FXM/97hdv2VPGMAH6Dq/wyEdwE9Cbj/hnew+C9jpv3bqvb+jz78/5jyePqG13T9Wg/6/u/k2QPfYsD3D/vm8e+Kyv1PkmT+V0/K/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e29a2000a65fbc5ffb140eb8dd6ba207
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JXi2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+KeMvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9KaiPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Z9KWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WwiGv/hwSb4J/qu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALDrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "CzQMPzW9Kj5ZA/68Kiwwv8G3N79cEMi9guO0v1/VxD48RWS/mwVBvrp/oT80mFi/KgGBP1lcET/arLW/BBruv5VzhDxWEQA/fGMDwMKpgj4p6+C/1cnbv6xINj9mMqk/Zuolv7EQDcCdQZ++JlOvPy27qz6oyY8/5KxkP4sUFL4TxA7AkOUBPdBVHsC2DZC/NGo1voCkFEAhrR+/jkD2P5P5kj8IqLm/QN4xwBQSD78sLw8/2vOcvq/8LcAt8Bc/gJwBQE5p6D7tkARALv3RvzbdJcC/0w6/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b564a9b8ebf194f287b6021ee12dfa50
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zpzbww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qfh/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RUgdvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "mKZYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "J6UAPlLtUz4yj5y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALjrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "ZHEgP+SnP72Q1JG8Qea5vv2iNj1bCI0/3+7Mv2HeMz+jxgI/VRwMvnUMoD6CH6S/hp7TP4BIi7+Aiak8R0mfv9Y8jT9S8ky/ySMDQHsZlT4SWpI+cEISQJ1MFD+BPac/0s5OvmZdu74Lig5AxRD0v5YGyj+OsIs/nS4pQAVRQz/+iPu+7OjhPpp2eT/Jcve/yPfHP918y7/qzGc/9NobwPNShrxiSwU/01Icv0qaZ7+yeATA3k2bvwAayb826Li/5NZ/PpqYvL+MlhvAT7+bv9/dFr94BDvA", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1d5de0bddd7ff3c7ae5048a077e26c30
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Yqz2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ADp8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tI9VvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "E9ZGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3XuAP14uyr/SOoI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANDrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "8qZ8P9Avob56OMq9argyvpDm976kn3Y/VpyNOqNnCz8ZQG6/ceBjP0I77b8pTYe+09egvmOU87/LDhs/KYMTQDuEkj7/T4k+SOd6v5+G2D697SE+0YqEvpMYI8BwJLE/MpwoQG+ltT/PPY48jfg+QGemy76bv1M/o3TkvRWAfb4W0AFAWZ45P2QDDsDzHKS//S3iP3IyF8Bixx4+2O2oviR82j12M/C/uQGyPtqTyD+n5ou/lsQUwFpSHj80KPE9FkY6wLv1kj/6Zk2/VL80wMkUhD4GDoU/", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 376326c0c606d40782cde868ce7b22db
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Mqz2ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Mh9wvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "coZivA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "y/Zhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5QqvvaJi3L5kkoE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOjrRQ==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [18], "_dtype__atomic_numbers": "int64", "_positions": "Q49NP6DZQD1Err28Fy9yvuW7Aj/BwYW/qA+gv1aO1L7O1n+/UwyWvvncwj8u4ta/GF9Tv+Xvu78idTG+JlmdvtQNlb9T7Zg/UG8qPj/aQD4ayak/5BE/v/LUoj8g1tY/3uggPwRXur8CMiM9pVUMQLUBFj+OmD++vGnSv1jJqj8dCoY/Hzqkv9WiGsD1iNy+1Znhvl3e579ZtgNACFhXvls2DkDTT88/E6QKQBfY1j/Kql6+784nQDdmaj7MPJC/73o0QBVghD7/oCQ/2faHv9hqkD9ByS1A", "_shape__positions": [18, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


