# systems

unique_id: 251f890a4c44a5c2b05b426ed446eb7e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G+gAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "y/aBvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CVR/PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "a/GJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OGdEPlc+Oz+zB7K/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALg4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "CSK8Pkt1Wb46Uko9hbwVv0m7mL+xXtM+aV4jvmK/mD+oG1u9T0nEP+jbLL/+VVC/hAO3vzmyzb+B4A6/cx/dPyOj376FhSY/sLa+P/9127+olJG/PAeOv6/QmD+FbB2/Bm/sPzoBpr8CBaY/eZsLQFCrUD5NjNe/CGe2vpF/2z+hBp8/EUeav9k8l7+MxcW/CJgRQEgX5z6gI3E/39oWwDnEGsCWo5G+zJA4wAW2KMC0YJC/PFtnv5TKQEC/kJ0/ZrQOP/RV5z/rgh6/7GDyv7gtQkD63T8/mc+AvnORbkBaqDQ/hvLcP05jQz6HGyLAl2uBv/oWVUDpQhFA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a7d6b49cb8d21a55f847749c1553945f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "K6PBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZhBvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2ozTuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/3Novg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "e06KPhsqBr7BkKm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALw4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "v69xP4CrTL77rcY+nFu5vqig+z0qkZQ/3VhsPQWIur4oHl+/VmKcv220FT04X1291fUYv3T4ND7/tBVAq2Unv+D6aD/L7pW/8MJNPmMHvb8Ff++/B0EPwKQXrb5CpLu9+b7WP108HD8ZNag+Y26WPrfwHMALXbG/KxAGvt17FED2b3q/L9zNP44Du78rlm8/bfRlP9KMEsDOx4E/XHejvyxOUT9y3gPAKKrmPrzLG0BGk3y9QsqLPwsoqr8GgB/AzU8BP9pYJ0BC4ui/itcpvxnIwb9wlSLAJy4cQHIW5L8ro5o+5n92v9TWQUB6R22/lnX/P5j0ob+RLPg/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ebfc262be8220c8f439c4c683b371cff
username: gastegger
key_value_pairs: {}
data:
  {"energy": "a7a/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kGlNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VWc1PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BcBYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lj60PchBKT9AwUU8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQ4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "+LJ3P4YSwz3MbEa+JvobvRKvUr91M2G/VFrMPklUtD9+gD8+EStpv/e40z9ySOU9ULnyv41yGT9gu6++qt6LP+4MC0D6vAg/RuWvv5POQ79eNpW+/7cNwOlYUj+X3q+/FiH2P/GKD7/haD0/2HQaQOhShTp7uAa/PoIzwBDgJT+5hIg+wtMvQC4MPL+6fKC/RuS4vxs+rb8+ZoU/pUJAQKLlaT8LkQG/17emv6udKEBnd70+HrVjv9yKTL9ydug/jO0IQPy+lT2w68A/2DqFv5mYF8Dp9YA/9B76vdeRBr8Lc/e/qauoPjEa7b8SXVm/DXofwHYvtb/RRq0/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d79ddb46f55dde96fc1cf3e26d3358fd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "esT3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6X9Zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4QuTPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZeFrvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CrqdPx+6gL6jIwG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMw4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "4SZRP6D+QL1PVls6g4/dvsyKPL+WGdQ+4xRXP6a+oj+3rTq+C/XDv6v2xj1tqCs/MC08vzjvB8DKlPC9AA8HQDYpxT8B4gu/kTY5QLUh4D6VMxm/CNG2vjjP9r8yD6o/RqYXQFqMH0DYiTy/OqsfP26fD8DN+NQ/1roFQJe2H78jHYC+xXaSv/FCAMDGZgRAqEkYQFty1L8ypj2+F3uMvKvJJMDP/Uq/MPniv4mvFcBA6a6+UPF7QIcG+z7Xi16/mqIKwPLGHj8369a+VVXZv2/Fzz6mGLC/PLJRwN6Xqz902p2+Fj9uwPZqxj/j9Sc/C+JvwBs33z+Expi/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a35204662d114514abff2f9011d09541
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/h4GxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Kqp+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+FPjvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qz9ivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nUbaPQyw/76P/KE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANA4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "LL4/P8/NwT6dh5A9AgvMvnCKtz+e/yk+2H+0v8n0pj7YOgE/9q90vlSHM7/gHig/ABq4PwFhnj/hTJA/P43+v+9PvD2Sbc++/H8PwLheGD9Sbcw/594pv+MjC0DfXxi/DOmxP4+4Or7O1Za/b3R2PnTeAUDSzqc/xbo4wIyn673Z+NY/q+zgP1k+PD9YIANAOBYOP7WUtb8tM8a/4qy5P2PdAT8bfgHAfmhevrfb8b+Erpu+lXAaQNn8Br9wE3m/9+mZv4/WEMARtRi/PZpRvQawd78Bc9k/CHoCP7Nq979cqyjAdVeqPpJvL8Dm0eo92P0QQGsj7T+eNj8/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8bbc106bf560a4369b0af57f0dcb3792
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tOkAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0cxzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "u30WvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Yi1Ovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AHRAPw1U5r4B3rK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQ4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "xBJnPziaCL46T809gRYOvxo7KL/xcZW9FjsqP7YncT97vlu/WvqiP4cPzj5cLrw/k5CyP4RM2L52LAtAbA39P/rghr9L5e++DR7YP9Jjq78w476/HOU4v/cbGj/AiIC/NjN+v9P0uz4HugLApssSv9nAyb8DQSm/GmnRv2je2D//JQK/v4QFQJqUC8COYcQ++wGtv2gPX7+wK40/v0Y0wLljxD9Kr5++BEAzQAdeL8Bowoc9HbkCP574ij90N+0/5ZOPv4lkKkC6RJ++QrINQEUHdT+O8rM/uQM7QOXU/L6IZAm/ztzDv1iIT7xdQc4/QZsQwLnwn7/yCls/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3e17757a46319fc7519be40e842fa676
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qTTUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BHWCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OBWJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Urqkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yhrFPulIPr/izL++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANg4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "K3qOPvYByb0FtS69UUd4v72kKD+x7gS/PBozvYlxy7+lsyK9hwbGv9wd1r9XyNW+wxIHwCRIj74Kkbe9Bwd0v8joNz8a5M6/qT+Dv1O7/D+LGf+807sNPm7t/b8amnY/1scWPw3SCcAt9zq/r73Tv7vE779tk76/CjYRwGWyLL7jXX0/vQUEwEKgHsAAnd49AmVaPxot7T4PW5Q/Nt7NP1IjAz+oTJW9YIPVP3Gbwj9lUfm+b9A4QGe5jr7anO69ToNDwPWNcb1yXxe/5JkwQMUPor9bn6k+JVcOv3qb+j9oEVE/+exNQDxSz778lpO/Oa9rQInneD60YNk+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6b2b1125c1da1177300b807d5a49bb75
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wjPUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Jh11vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SpuqvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vclfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KCzRvqkwFr/uzoY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOA4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "5cdvP4OYM7xlZUu97p2SvnDFTL/BdAU/2u4FP8pX/74CHrm/ftIFv10DvL8+d1+//A5ZP19VQL4coyPA5t3uP+3pBb/QD28+K+2IP/S8vj/mIT8+Lu33PcWo/D83/H69WlZbvf3ev7/p3qo/dKTDv5ftrr/W1qS/DNq7PwKY6z9Vrs8/+ho1P7fJvz8YHxVAB/amvzFAtT18umk/BawcwKnSDb/ZiLc/FifoP1ij7z/QXwW/avQaQIU7sD+tyfI/loNbvtQHIcBd+nC/F8jJP3YBO0AEfd8/WlE7wBHKmr+WQDE/2dcMwNRKlL86bBRAg+VJwGGSZz6KY9w/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b8c89386af0c7601a293f8aff072a543
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GjDUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ARd0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4453PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Xf2Yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DWyFvmnG0j7hl5q+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQ4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "3Rw8P9IdA78g0lO+3oblvohiRb9BnE4/3kIYvseHAj/bNXK/wA2av3wn4D6k204+NyGEv56L2L8om1U/xIEWv5jTNT1lteu/VL4hwMmm5D1Mji++ktr3PlQI3j8/uJ+/KC6Wv/QEqj9j61g/rejyPrFSz76yO/4/0Ds9wIiBZz83cgK/jGS2P5y0yr/2qIK/8xU6Pz5UBcAGsNm/DfbFP7T90z2WP3o/vrAiQESKp75Xh40/PCrTP9MdmD+l2mo/LrulPZ1joj46TS1A+EXEvVWmEEDcVOe/gRpQPwqzpL8hTSJAW1nvP1RQFsBWR8C+8sEOQMYkk7967s+/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d326ce38229c6ac3a49025b0ba6c5326
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6TDUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wXB+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GhdOPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RPuYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "A89dvjyI3b2RJ0m/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOg4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "pGSWPx/cHr7RuXo9ln02PE4lIj5rO3S/kCSDPnxnl78pu0o/6clrv4uvUL9U5kC+xdTbvpOIwT8nJGC/nPUMvwZUGr9nBf0/Oz/avy/7Vr4uxYA//V+YPrxGfL7P7BjAIGm5v/acxb+Ji06/5gxfvcNjXj48BSBAe+9Wv8mXrb8ilS1AqjX2v4PwWj/nJms/CgIpwClKPL+2e5o/xP4YPY+YAUAMs8W/dpQoP046DMA22GU/UvsaPwGqpb8FYBzAzDyOP5g+tz472DPAt8nRP0KNdD9wMUg/9g15P3vY0j8FQig/iWwCQNFEIr9zNNS+VgIYv2/j8b2ovUDA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 75555cda8b54dd95192ce197bcc0d7c3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UOoAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xLNUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "s0IRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "F2Mwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "rfqMvtrhJz/t0/G8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APA4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "IzZQP+ioBr8f4LS+jFeQvohHfT4RZLg9MH5Ov1geeb74dm0/T34HP1ON9L9akwS/ibEzvkQNBcBmYay/YkmrPY0FFMCquM4+feikv9VK+j7CZIO/lKbtP5IAJsD33Eu/qaBWv0FeCD8ZuALAvModwP86ND98WFW/+nwRQC2oDMDcJ96/ZYwwQLvKG8C3Ao8+mgjZP23AasCQem2/5usxQGbSvr8OSvU+EM1lPqsqzj/usPY+WtueP0aj6z/w9EQ+8lcEv78wIUBxCJI/bOrov+LUFkBpWMc/Gm0ZwJGJ3D+qSoI/OrKAvU6iXUDneLY/8UYTwIM7TECns+w/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e9e7f4d0e0a188574e22179b8ad4e0a4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oGcPxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4ziAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "b9X1vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GLdhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZFjFvUpepb+z6vO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQ4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "MeovP8MdhT7HVj8+TCOkvhTuWD5lHYO/3eCnv/DHnD/ka22/shh4v4o0lr9uw2K/GxlfPjZhSL+k3Z0/BjrVP6Vugb1v6D6+wbHFvupOor4lSAFAW8paP7R71T8VxDY/C54tvzr/3b8TJuA+KGLbPHCoAUA1eK4/K7XIPpaE0T7+qhbA02ZxP9onrT8vRRbAJDOjPzctt78XSfQ/dL3lP2sCGEAQ5ec+N9CMP681zr7wzyLAKimuvnN54T5jikrAYL78v+ReZz+Glpm+xWT7v/zylL9JyRo+XUSbv5XP4b+z7eG/qvr1PxCm3b/WVqE/bhkrv6zwMsDD7Cs/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 27d36d226ad728232523c6eb6fe584ca
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fDjvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FoVtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2LpUOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Adhwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wlGWv091iL7jjfw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APg4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "lg7NPvcbHT4R32I+bz07vyAueb7tmAK/+Ku+v6K6pb8zh5Y9oMDwPYAMmT+OXaQ/i+WyvxEfqL9kfJQ/EjDIP5YKTr+dH78+377SP/6Atz6Z0ha/U6Q/vy13Yj9/iPE/6515P134oz8iU/o/cEHIP7Ro4T1Mw9K//UYeQBu4tz8AfI++RnXwP1yqDEDo+C++VqCBvTP8H0DGyR0/iYtUvxh3G0AvcUC9Q5IuwKGG2b/HRB6/Q3ndv4TYIcC6ZTe/At1uwLMmtr9u2mS/toC6P5j85b87Okq9svEJQAspP7843qM/QjqlvsHITUA83qQ/ICqpv2IXXMDhzo+/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 747b6ba75218c0be1181097d72c8f830
username: gastegger
key_value_pairs: {}
data:
  {"energy": "X1vtww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "e6Blvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JH+wPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YLB7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3GgYv6J/gr+xv2S/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APw4Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "jggyP//vEz1DRgc+MqgdvkS9Qr/FOxy/JJK+v//vR743p06/CxVFPhHa/79BTZu/n1UNvnUwAMAR4xDABHukP2qzBsCW0pm/0FzFv5QXgj8cNRY+U1bPv52u0D3jre2/DgvDvRSZnj+rCA8/UF/evuO1Q8Auev++PrroviyOdcCMTIi/qP0PwAH0cb/OOhO/yaSvPgcZAUD3qd4/f2/3P+iqt70sWtg+Z/gHP/AEJEAd+sY+lz7APwkJGkAzaO891w8KwJuvSD8zh4I/84v6v/yw8z/oA6q+t54WQCufb7/o5jA931mbP0PM0j8cYxFAlg/QvlCzIUCmuRVA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3b30d2231a3751a1a31eb6fc2f0f8899
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UqDBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dGBpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+feZPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OC6bvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4lg3vkgzVj4t7Bk/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "0UgmP5N1TD5ccZu+Cnk2v8cUYT/u6km+/VgTP+qhgb89VYy/jx8bPp+81b/ySBg+9XN9P9AmJr+z8m4/zdQqPy0HqL7kdfY/W7KtvxAuuL/Yo8Y+jSDaPhqELsBi4SA+aY+mP9tAxj+tTB2/gRMDQHmTar88/HA/s+uNv0rVcz/wtJu/ghzVv4Q5gj3dXi0/Ql7yv1o947+NWwG/1v2+vyffjj7FSt4/wwIuwEFGkj6jRPk+zhbZv7MfBMA5UZw/N7eEPfJJDEAGBOs9BtqkPxmd4j/3n9e/YgeCPqa/FEDCfJc/azCovvr3R0BVhJW+bUcTQO1V3j874F6+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 72e5ac3f5f225bba0ec112baa2964740
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Rzvvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2V5bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qVBdPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "glmJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dxA7PsPTKz+BPgm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "2viFPzhVsr4z9Uu+wDakvnvtlj7LUCQ+4giwPrCHm7+KeKK/Se2RP4zpT79n0aI/g3mAv6oBCL+W83e/+UKKvnlDvb5n7r4/SQxTv4R4/78Y8jq/cp1Tv9TEF8DC75I+9dxNPznku7/eEg7AVJ2nP4U58L8NUrs/3n+mv2duKcBdVrq/qbbVvnzpgj47lhFAxu//vsl/5D+5B/89EuwJQA5gxj7N0SG/FwMEQM2fDT/qz8m/9qPfv7EkD764l9O/zFervhJBCUAgZGe/uYHyP9I/Z75reuc/3KOFPi+aEEAWS0M/e3Pov9h0BUBQLhM/RW72vyqeQkCrkBQ/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8b5cb0f799724b7d5032a6f8ee70b051
username: gastegger
key_value_pairs: {}
data:
  {"energy": "l+kAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/wWCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "D5rdPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oN+Pvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hqwmv6zFJzkSvWQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "AhJtPw5f97z6y2M7SUGwPRCmiz/oAXW+N4PYPZRwlL+f1xc/fEfdPxO9eT71PzQ/BMSGv0pdYb+3JMM/V0eyP7/Hvr4D222/bcalv2jYs78Wu/I9t7ZkPwCeEsDsJFI/ML+pP55SDMDTg9Y/PIWov5URFD5n0OA/IW+Xv611zb8xlRRAU63Xv6jcL79l7xm/do4lP4bWDUCM5Ua/ltDtP9wAGkBepIy/jujOvqB4UUCFTnS/HATXv16ULsDtap29rKomwPHmM8Dhbjc+w9ccQOVbzD+gX2y/KyuZv0cqOkAFq86/6Pddv9OvYEBpPAA80Gc5Pd5nhUBPXrC/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 98333a636905c3c683580b5b20c38c11
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ojTUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7BRrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BvEBvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qphKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "irAhPqg65L3SHRw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABg5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "NwgNP7JWOL4syuY9fK4svzGpBb4NoVG/n6XCvzF9Kj+Gck8+c0movlA8Dj8cHZg/21t8P4BRzr82Teo+P0YcwFHNIT744QU/c3rhvwUqAEAJjEi+6U/YP0RxLj8fIOW+Wc9iv/d0Ar9bE/i/Es4Mv59CTL3UbwRAj34RwN1u/T/TqoG/9l7QPfGlC8CuTEU/8nhCPUWywz/UsMA/VcyoP+he1T80Kz6/x48IQONAVD5w96m/WpQDQEsr2r8xWMY/dSisP4rTBcDkyeu+QlMeQPRxVD/CzJk+gBjePxfgmb+B9B1AZPU/QOw+oL+a5Z0/7awQQLv2L8C8T+Y/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2e41660846d3bd254226dfe5364f9ccd
username: gastegger
key_value_pairs: {}
data:
  {"energy": "0MDmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "w7eAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4WFaPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/wOcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "s3sqP3uIRr7cLtQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "5VlPP7RnFT5VxRQ/rNe5vgZX5D5946O+AiWGP/mZgz+m0Jk/wh/hPt7rar/h07Y/5SS1P1mNor/GiBhA5gH3P3c5Nr5HbWK+LQLcPz3Kzb5zaT9AEdITQGgl2r8LYfU/21S4v4EBqz9psXQ+VHU9vyONNL9d4Z2/Mbh8v8Zwyr8YdB6/paIAPkr2dr+I2e2/O7HsvxSnn76TOQLACbP9vj1A7j+fjVC/OyCqv+LJ1z8yPaE/iMYEwHGxhb9BRCfA3FMdwEYjkD9BjYK9pF2IPpnfJEAZpwW/fRt4P20XAcDSrUJAxBQvQG4rwzymEoY+e4ljvwm//z9QNei/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cca9fbffdf7965d14b6dff3572c6cf35
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BZzBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "D9R5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "P1aQPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "l/+gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IbAKv4Ko+zec3G87", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACA5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "jRGbPx07Qb7nfhi+qoxoPjnamb8KkkG/tN6wPulZMD+v+0g/OWeIP3KAfD9ux5e/yc+9vgEQhz/upAy/Oa1zv1Zvjb6s6oa/8fePP9MMOT90pw/A/7YLQIzDDb8eSD0+sAttvnADVT6rGsk/ZjrYPxu37D++PnW/k3WQP3dj3T+YSKw/WwCAv9Xj+D+81x+//ZAHP3wqGEC4cN0/2mySvzpGwL/XVzi+o4y4v+YUhb5wcQHAlZbNv0K7z78pyKI/DqcgP7r98L9jEcC/Q4hHvwe557+KFvs/yRkJwIVGPL+XE88/sx/Nvyf4EcCAqUm/afsSwLLZHcCOxq4/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a6caf67ce4ffa7c127ad2cba886c5d6a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "szLUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Yr6Evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LeyJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bTmnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "enBHv3dKx75cONA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "bowOP5nngD6CFpY9dtgrv1Kwcj/JCi4/DPsqPbdEoL0b766/wo5sPkn5nb/nctQ+K9f0P8pmWj+KBrI+cVNuvz8ggr9fyRm/PYbEvhsmPj9SIvm/2ZxIPysdIL+9F/m/a0twvWheur/GHLo/ft38P2lQ7j8dmo69nc2jPzkQBcAeD5O7ylkGQK+obD83dbY/hj12P+QuP8Bk6MI77krmv7M1o7wa2Dw+6RK3v2v17b/MrYq/lnQbv/uGeT+zgOM/vOAgwIoXAz9KXOa+RTwWwJ/1+b6bBoE//UVDv3AjEUDtIyk+3BgtQA6gdj6bR7q9Op7Ev6RPLECziQw/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8379230a83a4cdac461d14570b019046
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4zW3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wd5Vvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "R8uBPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/mGLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KPIkPlslmL5PIw0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACg5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "0qaBvhTDSL6Gs8c9Uxugv2rrmj7rQla/SJJXv+cnkL9pFJk/YM6VPoK5Oz9Y+Z4/BpVhP6o6ar9RxyG/bmbDvk7jyT+g07Q/XaUFwOk1Bz8vEp++V+Lzv9JKbL+MJ60/QXBgv5iYuz+YVtK/yV3dPj9hzL9mH6+/g665P3VJwr9BULo9zIHeP5kdDz0oFqG/PhUDv+qbFEByroa/AKZNPcEI177/DBBAD/IaQG+M4r5Ght6/cS52Pw0re7/JDR5ABGi3vfEjmT9KORbAX1Tgvwtz5T+xfA3ASaqnP9VRjj8+4pA/UUXYvqREJb470UxAt004v/oGDcB45oY/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9b3426c8537d7eda2ddbac39b79b707c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UzDUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Y7Nzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6SdcPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "r16Vvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "soAJPumaUT+cpxK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "OWkgP/c+mruynqK9AMAvvxzSSz+xxB8+x2mpv1G2Jr3PsYC/yFMuvvjMhr+BKGG/yxSkv2suAj8VS/q/e4mov81bED9wF8M/diYmwAgBHr8lr0+/uivvvp1Q8L94Pme+kBO3vw0ZAL/Q/94/qACMPs/Eur+cRuW/9MAxv5QMgD9ryxNAl/FQwFzmhT1jm22/wOcZv4Jo7z9+FTC9Ut8TwG1qgj8nlsk/+yCwPyQ95r4muIg/Dp/vP0cdMD97/Cu/IOYkQLIJVT4+5Rs/G2TlP82I4j/7W0u/WpU5QIv/fj88P6Y/N5pZQEpBAL/X3/A+nqsPQE57fz5Utsy/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3faa4697f0069e34ab6edc83502f71eb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "prDcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VI9kvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rFU7vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+dlYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4V1uvh+dqj6thsQ9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADA5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ZINBPxSTY77qXAC+Rrn7vvzSkL8u/Qq+Kn53v7DaiL83rlk/jqzVPryhnT+q3qW+vuAxvivxCsBAIYa+ZUYrvz7c0D+4p32/bXe3Pz+tCb+vd22/p6zSv+kqLj/+Jsm/M7dav888LED3G5K/MZ6RP5R4+T9MvWs9/B/GP+EH5b6KJYY/D5LDv00QQL/+65W/yFWYv/vhtb4BsSLA8+InwM8fiz+QDui/jKaDP6y437x/Cw9ADkY+PpVHKD8fdApAxXU6vh+Xjr5fUyrALkLFP5hkyr6U7FlALIYYQOppib94/l1AmnYcwHKVqr8noI6/7fiPP/RKg7v5VopA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2d89ba9fcb96b184bada030c026a97cf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ky7Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "R3Rvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Z7SVPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PSedvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "x53CPoyhnD3yB2O+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "CEcUPwS6Cj6lvwG+8K/JvRw0lD8fIA0/m8RvvT1vgz/pYfs/Jon2vkM8cD0qXRFADuh8P8huhT+33BNA6eZXv+wZC0CExSRAC2aXvSq4pb9SnIC+Q7kUP8XHiT7WWdK/OblivBzgkb/wVuO/lkXxv3hOCUAUng9A6TVOvyl3jj2SpAvAMl+Kv4iOsL8Yzis+0/LUvgWPSEAWkxFA24PMP/XA8DtvYI0+ztQrP/2dFsBJ05s+LsDGPxjJFcBjgq696mp5Pm+N97+S3R3AfAiuP71tPz+pXw7AjOlSv9MAB0C7oWpAPhDVv6SlxD4OTcy/ieNpv4WKZT5jAVDA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eec7d5766c59ade84183708ddb052b53
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5rHcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HoeJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vXHSPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Oq6Wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lGpHP7bbNj8iwwK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "iEuKP2pMPD7LVBg/0UONvjvgFz9nudQ7d4KpP7aomL8bFxU/da5AP2Gzzb8a0p4/WWyrvx79r7tmxlI/hscIwEGaBL+dI74/2h7XP/Flfz/1Bts/tKgRQCn4hD9PxKE+SvC+vnNA1z8CkN09e38JQI07+D8/lYy+hm5NQHDUAz93Fx0++raSP+cr7z8/wgRA2YLOvneHaD4fHLy/ym7ev+zzgD23nQnA7YYowKZkDT4Rf8W/1ZEOQCSA5T5Z9R1AODHsvwLV6T6c3knAr87BPmwoMj92xwPAWB1Zv8wVkb+Yk/a/v2STvzWM7L/K0JW/7HCsvvVXyb8JkDHA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fd6f7d28a0e6693dcdfedc7534743a84
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MTXUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XB92vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6umjvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "H6Jhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mG6yPpeo7r6sqEE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Ns8zP3+8670h42M8kdAYvwpmmD2Sh14/2sSqvyWSiz4X8ey+D0cmviO8kr6BxaO//kqiP4prUj9UHam8D4oWwEtQVT/mEUO/yfatvnaPrb/DBru/wU1XPnBD1z6huiTAGC3MPvfhvT+7eBnA4PnQP2Uhob8fasQ+B/GIP78/DcBLBsE+ZcmNP73nbrwPfUHActkav4+srz4EG1PA0KsSQNjZh79q/c8/Q8Vmv6bcY79ziqY/FGsbQC0mrb+htbm+rFjRP6lQjr9O7xRAxogyv3e5lz8RzvM/22DMvjVOCUBepLw/DMVSvWJ1fT+oBDFAyOncv/aRpD93whBA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 524c43acf43df26237a10d56f0a2d427
username: gastegger
key_value_pairs: {}
data:
  {"energy": "JzHUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+Z6Bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "flGCPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WDOivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jNbxvsaKOj/Takg9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEg5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "XwdPP8eqbr7y8wG+YMo/v57JvLuHxsS+KH9QP9pjhz8S0Tc/WAExvyypnj+7mP0+5HiIP1eLtr/bmhQ/kg/Fv8c/jL9GyNw9Xe3dP2XPK77Rnaq/RtuWv7UCgD6WvOi/N3rwvxyBWb+cfXk/eWQIvnjNbj8Clu4/oTqfv4ixCUBgqpg+OFGJvtaKHL3bTBVA8V1ePrpE8r+Akx0/J1/DP0h8fL8rvgHAQvAbv6kciD/LaBHAI/4dvuj+4T/tuiNA+VmGv55LJr9YOhvAtkQPwLf+BD+D6eq/LW3LP2VD6D/BEi8/Z4zTP34USD8qJO+/qAYxQExNjb6Bv3y/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3e5af187aaeeb610fdfe9c27e14cb3a6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PrW/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qitfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7KWJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UP+Rvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8bruPuVhMT/QYT4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "YTaZPzT7gT6rwfY9ocsUPqQpUL/QPoM+wCUgPwu/rT/PlS6/ww1Qv0Vwfj8BaoO/7kLNP+6c2z5yiKW/qhCJv2N3tL6an+6+E4GKvw603b7Xo4E/YRsRPy4LEMC5Q6U91v8gQAcXYT98X6m/Xk6bv2PkQz+Lx/Y/DsDYv8bxor/sw6s/3Jr2P1qk1j7Mamg/z99oP60qGUByJwa/fVcAv+Xcxz9eodo/X33Cv5Q73T/tICC/rFKOPyG1F8CiHly/ZaF1v0bCcT9VAwfALEcOwC7Slz9jYe8/2baGv4vp5z4Dvz1AKCucPx9zJMBplmY/e1+cvr8UOsDiVn49", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 91d0ea50a1b4730e1f28660918c975eb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qbO/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "m6lQvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UDSPPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4iGMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TfgNP+LMnz72tIO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFA5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "rApjPwS6Ob5l7RI+71yTvgPAa794h96+2omLvxSxmz34s5q/rU/Sv6bhEr+kfAO9J/0DvgZz+b86JkC/PEj6vxjBDD7C6Jk/fSfBvokatT++W4u/gDgSPx4mnj9c8rs80LuyP15A6D/o/ou9br6ev74+bD/SZLw/lDDKv1mVF75NyQnAhXqHv4bTD0D8QF+/R8rVP/wMLr+ZU6k/ylfdPRet0D+pcgPAtRASQDIsOb/ZCIW9PxQaQKkB2L+bIwy/QVpEQG6LGrx6spW+1j6wP63Lzr/2qeQ/Q/kCQG5JgT2UKQFA0BYAwH+vF78wBQFAPd08wJNjFD/lxow/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d38f07feef1d3eee63cc753a25b74354
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KN3kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wTZivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OPmtPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6PV3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7buiPq8ljD8hWbC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "sHKxPkYVLT4FjMs9p66Iv36kAj+FG7++ouBiPyo7jj/+95k+7o7Mv9wW4b5TTBG/CKhSPjm5Eb+Rg6Q/zV2NP9O/Hr/yM32/bVm0Py7mSb+Ft/8/e5yBvyoghj+K3qm/lwHHP2gUGj7tlgHAdAz0P28eJj6HcQ9AuCahP+536b9VdXK/Szvdv71xrT/zvRs/BVYGQJZ1tr8Tirc/CTzGP0LTkz8os/2/BvDWv93QYj+d4cA/bxUGQIknl77c7C/A+1RHwMC10j8CNIs+D8xJwCgeEEC17SO/SiRvwKj6Pz8Vc8094JxkwHexDkBOn4k/ebKRP2xdpb92WztA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 98b7355d5fc657621f415ec703c92f2c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xrW/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GEFTvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Y0KMPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JbGMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mpkJP878ur4sDgc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "6M6XPyEAgD7Ukmq+33MEvrN0rjvb+Xm/agGov7j7/D4N2FG+ofkVv7B6tr8nFRC/A77DvV2j1T6nyxvAXlSXv0s9L79CmCw/Ibiav9+HsT8Bqoo+l/nmPWZ/vj+P/CHAXwY/PkxSC8A1Jce+eHKLPzS5Cr0oA6A/3iRqvvnB0b4OB+A/GA4HwOaZh78WtY4/Km4vP79C/71Ckz7AcFCvv8hG6L8Ya5u/SdIEQNhepL2qm0K/mwkavlA9mr/P3hdA4LKsP/4HsD/110Q//JiHvyaFWT6hEDrAZL30PyjVCr+l694/X0QOP9C6BkDVQWM/ihcWQJFD5D8ejmc/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 85caff7688c410fc487da1f451f879fe
username: gastegger
key_value_pairs: {}
data:
  {"energy": "iesAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xvhwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ox3IvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "H/VXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zsJeP7t+wb7wxIw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGA5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "0Cs+P14SJ76AyJg9NlXvvpbItb7u3II/jGgLPikk6T7bfZi/yEievzv7ar63UqW/1zAzvxrdHT/LObs/ovPMvxrbS79Vs6Q9eCw+PyLHhj6wiQXAl3T0vxGmkL48gRLAjPAmvpj17j9OM3C/fAzQv/sK8r9MwQe8UtQtP+LpFUCMdSG/QUcmwPpa9742Lco+pmD9vk/QE0Cj2+S/v3ySP3fclL89/TW+vwnjP2kCKT/DPQ8/niFsvg05nL9mqQdAuGXOvMlYBsCHzuM/igMoQOaagj1/6sI/qp8FQGN7Tb7LGhxA4XxGQInNV7/3Y48/F7xZQJGdSz8hSuA/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c3aeeceb4760a4cda41ffc0c42f3b24c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/TDUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qwd8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JZWJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "H2mgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8UZ2P8PYor5I3Bs/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "sdJyPkFebD6a79Q+ZzaQvxa1rj5mUJA/Ij62v7ROyz/7mHc+G0bkPesr3D9KJIM8G+GBv0T7GT8PyAtAJDY9PprIJ79ihjy/D/EJwOK8pj8YBm6/+XfBPxja5r4gDW0/T+/2v0JnG0Br0Tg/DNkUP11aGEC6MEA/L/K8PysHnr+rkM6++zDhPoCN/j8Tm32/kh4PQEM0Zb+jVI+/1d6tP8CGib+rtec/88K3P/vDL8Asz7e+tlIvP6HsRcBmw7Y+HMwXQDJwTT5CJ4s/dIjmv2n7Ar8j34I/BsyXP0jQScB87Ku/tQPcv095ET/6tbC/e2UaQLw1ScDLs4K9", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e08a6886e0a347c94b4ca3c734850637
username: gastegger
key_value_pairs: {}
data:
  {"energy": "9TDUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3916vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZY+QPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yZKhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/G+lvmizqj6PpW8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGg5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "JrQePxc7tL7l4wi++xcPv1jcmr86Ehu/q+/Hv4ea+73gzou/Vhi2v3ovpb9VXi8/V7jMv5apbD79w9c+iUefvtqcBcDG0Jm/nZwrvr55QD+x7SU/N9Zwv6hoy7+tPM8/aAR0vI283T+gIzQ+22MawHw7UD/tcFw/EyqDPkjSRD/+KgBAb/iYvz+aID9A8eW/YUogwJwIDL/f0bi/WgYWwDR77b/ENAg/dhCkP4eVY798pg8/acmgvoN1rz+IgR9AfCOtP2gx/j1A7J6/RJUjQMrTRD/bs2K/yZkYQDrU0j8m8Hy+2wRPQMSDsz3aorO+mVFCQCAPjD8uv+e/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a8c6d41b503a0fd3b1a8afe5483cbaee
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WjfUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EFuCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1QW8vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZTVtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3c07vyMVRrzVz5M/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Sk6ZP3rHCT3ukL8+3ORMPsH/lz9QBxw/udSdvwEYET/OMPI+c6qBv5sBdL8n4gM/e8WxPmA/j7/VhT6+BO9QPjC/eb8336G/eaPSP4RFkb65V6k/HrnWv+YHWD9sevu+ortrP9H7GcB0NIy9PzJev7pnoL/fUcg/VamfPkgbzj/d0c4/D2gIwN215b8kE7W9rVv1v+TZaz/fp58/iKq2PhChFkC5r66+oQOcP3YGHkC9iZa/4nIAQNVeqD4kD5e+8RyPPxURJMCqpFw//RYVwMA+v7+Pw4+/koXsvw91NsAqO8K9xtXavrLISEB5o2W+kiZEwK7v2L8SgvI+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f425414f3fe28e82a921d181cf2b522c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hQmvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wi5rvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Zk2sPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hqqgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "guLHPIrIsDz0/dS8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Y8ovP3PLm76yj189gkJJvy49GL8/Nt6+uH+pv4c7Ez27Olk/izHlPXRtoz5vdqo/WakMv3D7qT583tK/PmBCv1FxLr/IiAJARaT9PoY6mT/Sous/j59dPw32JD8Fx5S/b9YMwKhrKz8wdW0/lT0rvhFP3T/y2Z+/C1nhP7jrrr8y7hw+FXmOv/KAzb+WgjC/pY4Kvwh4378n8f4/QtZjv50T2T2JqSnAPTETv3hnDEBkcre+7J7kPz+kMT8X+N2/EXqSv3PPt75FGkBAc2v+vKprGkB1LQXAA6nCPwC7B8Acc2g/52fyP5Fj8L84WE6/7FAuQAe8ar/+gtg+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a31898090b655995e1aa61180fd6b705
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hrLcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rraSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oblOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9L5xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "oFSPP29kRr+Xynu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ZSWmP+LWAb9EHHS9bHeFPcXp771+/2e/vUWGviBogb8RZLu/aDhuPwTPyb9sk3k/oD7OP5nczz4Tfew+WZuIv0EuqD53rrC9Dy0cQMSgdL9dHX2/wWoBwOHJNj9yUQw/2DrqPruQaj/nnua/KrOXviDMkz/7exbARBJGwOBekz+9fqI/gKEJQNS/8r+e+ry/2jv5PVt/n79PutA/y2OAwJLGwj9CpPA/OlgcP6EvIMAa+Pc+L+nkP8hj6L+ol80/S18jQAjBXL4UaOS/SyhyQG+Gkb8Sp42++82CQG9AXb5lTG0+0E5wQFrF97+uQvA+0CqSQFwMsr9C0H6/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b97d7bb2f5b06328cd6efbbb8b548d23
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Sz7vww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RWh0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CFgrvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Q5JJvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EOmHPvyMQz/8HUo+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "xhlPP6x+Lj1QscA+jwG5PuxOar9Vpis/XPe2vaFzlz9ivxY/3dPXP0H9Sz4o6YE/huqcPwNmCDvsd4m/opjAv6LNfj8T+9o+f2dvv1ICoT+8MeY/oI3SP7fybz8zW7i/b7Z9v4hQKT5/tDNAMqt3v62ygr8mECRATEyHv/JeBj/g63ZA64fwv2c4T7zl3IQ+Nq2Av6iWEEBZ0w1AhhoDwJuE5T97zI+92CnuPi8VTr/rmAXA+7LqPwumob8B6tS/2nPBvq2Ssb81ad2/4Gr1P9srCcDUcIS/+HIpQOPRkb/frxfAJEtGPiSvrL6IF1jA/3tgP6UZlT7wVmjA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b33049630e077bd2d46ed220dda71eaa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LU7Sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Iclcvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "v0UnPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SE2Dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7ZnVPv286T2Ftmw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "UJOgP7ycsD1ZPO48CMlcPk8eTD/xgWs/78vWPksui74RGJy/7HwSQOR9gz/Fjm6+WwCFv9CDKj7TNgw/OIlrPn4Y8D9oKDQ/idXoPzZ6lL/spjY/hY0/QCDrEz9YVDa/C7OBv4yvur5B7Dq/AymCP8le7L9Kt38/DFEYQCsaYb8s9c0/QOL8PgeQCz+U3Pi/BosQwO3g4z4/xqE/FiY6P+G7mL+z0Nu/JNH6v90PWr8nvLe/+i83wGtlSL8oDXe/6N3VPvojKj/yf/4/HYcfQGFW2b+Mshc9fxwvwDEhsT/cSXI/d/0CwIV3Az/zYRVAo0g+wP7/vL5V3Y4/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d72b1dad1b71828ac7c54f59fb90a3e8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BEnSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "/DZUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RxwyPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "B1+Avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "O99vv3DrDr7AlYy+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJA5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "IW9/PzYimT4Fkjg+C6qCvotgCD/pujo/PtvePsabSL/RHkG/8kZkv0cOGL9nrA89qxDCPpjSAr/vq+e/cpYGQI/rUz/8XPk+KrENv2DOij+6zgFAjU5SQPNh3z4Ub4C+jNNmP6Pg4b/yBym/COeOv/7puL99kjE/i+dGQNNMpr49R4O/7YHBv55lzj+cYwFALQJyPtSf5T+3+hFAKGcWv3Oinj6vwjNAMYwIwOkGaL4mpkG/jKduQGEeqD+SzDy/aELyvxnwGj/zy7e/fOY6wBbS/j0zF4+96GCBQOSOOD1SwuA+74MiwCLXsb+A8rq/YwFVwIZOl7/yDfy/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 315fd12205bcbbb9f5405e279c9b5f13
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yq/cww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "B+97vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Vd6Ouw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FHh3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LWAaP1rw4j3HaJ2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "juA7PyvwCD7EKq2+i9W1voGFCj8A36m/UCE8vt/wj7/GwxE9oYiLP+JikD8S4kI/sah3vwsaWL+5TaS/CTCSvxKuJb8I6Ys/rGrjv6PynD6og0S/xfg7Pn8hyz+VEpY/gBpcvoiomT9lUwvAYZH/P2FJtL6X3oa/itStPjESBMD1x00+CD/hP+Aljb++8+e/mp3ZPxKP9z/EAaU+bRT/v/44VD6/+Sk/Ou3nP6dl2T6VaeI/l2glwPqrOj8ZGq2/tbqev41SxL8JpATA/oECQO5NhT+gGh5Axp6Fv1iBX79gswlArk0gQKU29j78psa/6kQsQCTBSb8r5Km+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1fa8c624e091de27c73ccf001e249af2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "bjLUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CMxzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xqJpPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XRqXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fegyP12/YL2CkLw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "OaORP7aizL0W1sC+ld+2PbYK4L7KL7i/mjyovua/t7+tmp6/UApwvzp0Cz+4jb2/7yDzPh2bQL4BA4I/plNkv6O47T5kKoQ/Fsm4P4YEcT9MlQm/xvHMvxB1QD9++Ye+WBcYQACofb+JPvq+kWmQP/5plT6MbeE/KJEHP7EQ4774IxzAaGh2Plwuxr+UrLI/rZqQv05T8j/D6Bg/WwDBv4xF1D0Fx+w/VzoHQPtNA8B7SNu+ZkhGQLfTRb8K25w+eGqLPyGg+r+sXMs/XKU4QFeUVb913bi/mrwqwMAKDT8hxKi+N6eVvsqVHUDafFY+v5ftv4yQHkCSR5M/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 96aab5ef4e4bc5ae700b868dde100b86
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+bu/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UYhgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Q3QIPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sVKBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "glZwP6bQOb8dcjO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKA5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "np8nP4xyAL3gGI0+npEnv7VUPT9gKNM+zfKvPolunL9UsRe/2yeHv+wElL9ysmu/IInJP/61AL7nnrw/15ieP1BF+b2WuI+/Ho8+PzFLDcDKKMO+3CDQv4/zZz2QAQu/Y5AvwPN1ED8er2K/fByxv07hyb9Iq+O/EBaFvxamKj+iyLc/swMVv1if5j8WKi4+LMhPwC3dNL39c8S/PAeBP5TXA78xExVAxA5YP4FCBD+UGfS/vlUTQJcxp775UJm/YxYXQNJvXL8NE6I/4MYNQA2emz8Ehew/Znq6P6Hr+j/T6AZA2FAzQBvnzj/n+IE/tm44QPDQjT/6US1A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 92282f1b019d7f67563fe4ebe5cf53bb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DMPaww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "X+tivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ytx8PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SRGRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "W0JGP3wnJj6ny/K+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "zkZIPxfqpL2hITK9S/bMvkqz3r6GS1Y/A0yMPnfwhD+XKH+//HWKv1m7xD9Ahue+Z0m9v2zCDz+2sig/5Ck6PtzmpLyTIgPANCiNP/tLab8aG6a/j6HMP0sQOTx2ZpY/LY0RP1aJPL9m2Pw/4ODYv3rNYb/ERcU+e0EBP0vmgz70BD7AQeZIPxAn57/75AVAfDl6v8tWIkB3VYW8ifm1PvvImr5MLz1ATfrUv7JPib/Evh2/0UkgQN/A4b7zbI4/CC8EwFfDbz9AD78/pMjpv9WtzT8DSaC/gLB5P/Jc7D9V+p2/YnpUP8yE/L/AKKe/LDcKQM1mUL8oLMu/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 49b3dc41406de148a0e010e0b8836456
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mbv3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Nqtuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "t0LYvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "36JTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mFFEPzPEhT+vJWQ9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALA5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ueTgPhtEOL3Xu/+9/RVKv1FVTL+kUjS/5zvWv4+y1z7rV8q+e9b1vu9fkT/8yjM+zLcbwNvXbD7Zsrw+Cg+eP8bXVz9Mboy/LnV4vwI8879/oJC/K0+YPnPE+D/Wp0i/gEOcP8NqK7/nkII/4IKMPrpWqT+aCwjATyUIwDoYYj+THaO/poC0PuehqL9N9gNArG8TQBZfVT+2Z6K/TZzsPx9Z1j0Ay7w/JIFGvj/eDMBybd4/z2PyP5B6tb/z6xM/QZ7dPgq/QEDvwym/RIhbPmmUYb+OylNAM91HP/Hi9z/E0TDActw9P2pyD7tVwGpAEp/bvpJTsb8zs4BA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: df5240e4e7a8af3ddcbc9c53b6ad000a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "J7m/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YsBCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ab0wPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ou9uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GotGv2L4iL1IbeI9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ITdkP+zPXL4pOZw8KuulvvEslb+A5re8YbW/v0HHjr4UH/E+sjspvqvjAMBvCyc/VJUZv/Bs2b/7hLe/DQJCvwOnXr8sYgjAwDymPjHvkz+yJLU8Y58DQA9p875rzGg/A0oNQJZPFr+Z9Q2/pqVtPpQtE8Czpue/qMoUQEWdyb9JTX6/Bw9+vy/fkD+Im40+FmZuP8LCAkBOCuS9A97xv4cfDEB6pqk+SQO9vyY9RkCQSvs+2Io1QNqeMj7vLIG/CpG/v8zpFMBl77i/3SEswNduAkBu1m0/o/Pdv7Vd6L7AwcM/F88awKB77r6Fc769njT9P1kttL9t1Kc/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5f03fa1889b9a32e8fe8b1d2dd9d0499
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dLLcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Sl+Ivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "e9vMPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ai2Vvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "exTiv/Cij74Q6ee+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALg5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Q6CiPpFl1L2+mwq/8/yZPwqJ573GANQ9olMjP1vWkj7ot8G/pHk8v/rFTz85G0E9C703vuOHw79R1DW/X4b/voZiC8A5y/0+Y8J4v2sj9b8C0fe/X7uqv/oC6b+SDFE/6inQv121bT+Z0BC/YLZxvzAaZD8zHcQ/0OGyvhQzBUDL4Us/21zkPlC2GsCvNt6/OMWTv6uQlb8U5izAGvadP03iAMDUJBfA4JgRPypAXcBIm7q/c/jiv79rKMAI+OW/qSyEP5nqGkAbpXs/3/CLvnAQoj7sNQpAUpoJQOZPLECH5I4/tEl+v/5XPEClpyg/xgD5v7Mrgj8gvvY/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e473fc8539a4c7e71d3d4c1def40d7bb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qV7tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "miIwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uJBHPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yAZivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Obn/vnldP7obL909", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "kEoIP5dS4Lwgrwe9KuXnvnZvvD5TO2u/pIbEPgqNQz+Q94o/yEYdv9nRnL19Xue/L0Sdv4DQrD8UeL++0jw5vzcu0T/YEmI/n4KbP/SXMT/3HwtA1IQTwBNg8D/e6I+/UCiOv4S0F0CPUMk/iBBSP/EHmT8vGzlAM1zEP91hib9DyMm+iSUDQEvSsb/IPwc/gO9lP36tC8D/Bo+/PW/OP9m7LcDR6sy/xERMwEokuT8OSWG/wJATQHxyKb+XrYe/HcwZwPTzN0DZOni/0U36Pd55RMD/C4S+dQIzv+J7IMDWPEc+sR2evjIkeMCPMVu/uCE1P4Y/YcAgDBA/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8f9b3d3649e0e020ab681d65e1e0b71b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "H9z/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HXZfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PLxnOg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2V1gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UWZbv/5Dmr5cA3s/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "h+fkPueB4Lx4X98+OYhuv0bjzr7V508/S3X7vznQnT1A+la9djoHwElZiT8C+Hc9rRc1wPHm1r4XZf499WiQv73w4r9SN7Y/uMuUvyE1FL+TXxVA1ymvvpwl1r5QlkFA58sIwDzMhL4j4StAxhGEvh9FG8CRVbw/BaQUwI7DGsCQPYs/UK0swEYEM8Aq1vE/aMQsP+q3UD/LEvu+aOUDQLPChz9UVRu/b54TQAm4+D9Vkde/WpuiPzk17b4WCoE/nIjQP8KOLEBSici/zLYDQDN7oT/S9zzAuhGGP1uEVz/L7kHAWaMyQBOp6z5reUTA2GUNQEjz/j+oMXDA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 59751b8aab25bf7a650060b586e1e9b7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6y/Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3pFxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XMp5PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OgKYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "krOAvlFOpD6DF60+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "GGpZP08+Rb5mypC9IQqlvgytOL8il2q/BaXdvaZiJT/zpEY/H9KTv+J18T7uvre+gWbfvmgL2D3BOdY/xHKLv+3Vqj8uV4S/TmEfwABUKT5lss68OBAKQHqJpT67Fhe/7gGrPiF2+T/7Vow/gdAHQKQWXL+WT7I+eAw+wCS3fD+97us9ND8lvjukLr8Cuf+/OncZQOVBEj55BdG/BTIgQAcKoz/hHky+DgxYv+N+BsAjxgW/vA1UvaibDUAhx/c/ON0VQJzf67951GO9o5AdQMaINr+gNK8/s+J/vzLZC8DqbA4/mhgJvuQ8OMDmR1K/Nozmv1yeE8AwLYG/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 106d8b8536c817fe3dbe0315ba21d31c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ej3vww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Khlgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WDmUPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6xqVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jgEZPxo0pD5enUO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMg5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "lullP08Alr5m6pO+0OqYvjgLSr2+spy/GuFFvo3AAL+XIko/EVKwPwUaoL/6eAu/BqCQvyAthr/5Iby+1QLuP95nMD/yokO8FeNKv6hqaj/hD2w/hQ2PPPftpL+ZVPU/s7QRP39YS78jHiJAO10zQGjDXT8N8YW/zwUVQHL3mT/jX/2/WMirv38Oaz9SlwO/IphWQOO2gb0frqC/YrBgQHR40D9JYze/GQMLvfcY1j8r0I8/PibNv+KLdj/0QdM/8QmFvhz7nb2K9hPASFPWv5aQ7T+/CHW/qDyZv6X7B8D8hwO/xKQWwN5xTL4xUsW+iocywEkqrL4SPaa/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b7483fe0a3f6ae30320e8fc71c48f8e9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "00PSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SYJgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yy6YPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "10yWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DLBvvk1nJ76XHHc9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Sg1lP5wd4r3sPAa9ZSExvoxZf75ctYs/AeTyvezAJb+cvIa/L6vIP4C2nT/CIo6+/txQPxRW/j+qsQi/5WQOQI/CkT9JfpS/OBcQQF0U1z84b3A/MIfTP77cX795cDA+5NovQHQlI0BR4UQ/b36Tv+PfV78BZYU9DeY8QKuPfz+Ux5s/orKxvyfrFz47h4a/7ob8vptRMz+tU8U/vuOUPhmRkr8yWQVAeB/HvsRFnL9TtTBASLr4Pa73pb8RwvG/OozpvziM1r+USXY+xhGtvwcimz/XE1G/ymwVwJE2Dr7LugbA1y8OwBv4i793vBvAnE1SwDRpjL3ij+C/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c05676c6c6ed66dacd0967f58ea5fabf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/Q+vww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Kxdavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "IlWUPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "z6Fsvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EojXPLMkQD3Mlze+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "YtERP0Vqhr5mkem9lKo0v9L2CT8Qu0E+mIYMPjKR1b9U59o+ceKBPd89Wr+vRuI/poBLv9n5BcBMb0A9CKt6P61cBz7drMO/EnuGv1QsJj6+4LU/+9mqP2bBzb27gZ4/e1uMv9wLrz/z2X2/COE9PW3mq797bi9AJ9hwPxNwGsDP+dI+5yyqvox7LT+dCgrAz7PxvzbF3z5V/QJAU2Juv+lqI75aCyLA+qe0Py+qL78iEwfABYccvv6brD9pEkDAEo/AP6ULaz+1c8w/C4M9v4eUGUDdxl6/jxkQQKQFMr+WSac/wTULwHk8tj+usJS/hMXdP7J+bT/mAb6/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5b67a71db5fbfa4ce653e06be26dd795
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3Unvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GO1xvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wHnxPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KA6Ivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xM4kv/CFvb9UV74+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANg5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ujVOP0h8ET0vk40+8FuSvtu9gD/4UYS97HMSPv/Qpr97jAw//zKfv/GHk78p9QS+d/sYO/d5tr9p6NA/urG4v0/RkD5wZVi+FH8HQKICLj4ZL/G+QcNoPxozGMB2ixI9g0k0vm6HDUAADU6+Fo8CQHgfBz8I6no/aPAcPwJpTMBYlOY++lcrwFjdXj/AySy/4AwjwEUN+j/Exi6/hEI7wK1ICD9xNNi/6HALQAlNej/Jb5i/yDObvyE9z7+ADJC/ZBgDwOd10L/Tj+I+4otgwHWMGz/Oqzm8IiADQKokyj8hXZ8/dukfQATxE76IS9k/LL8mQCBoQb9FtD+/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9f6b37d6cef96189376bca1b3b238812
username: gastegger
key_value_pairs: {}
data:
  {"energy": "37K/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7KVZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZCOQPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "z9uQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+aAXv2lSMr+YL+++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "/l6oPzuDAT5aJaq8OqIOP94ZM70/nJw/Lg1ov7GDUL1kv4M/KgBIviVspb+uVbk/NxaiP430Qb8sTS2/BhOzvxzeTj5WSMe+M1W4vxKdAj/vuOU/N7IXvwtorj8G3Ha/P2+OvWhZIsDPKRk/Zv14vtGMw78ZrSBAP3I9vjMUF8D0qfG+PaxbP7pvqz8aqDe/kEBnP0j1QMBGIkE/SS+5PiPElT+sawXAhumlv4ayL78gNIK/iKIdwCW85j53hMG+moGEv58lFkBCQ1K/QpbUPlFbNT4j8SHAXmMXQGknjD41WHw+k+tWv/tWUMDhW2U/5xEXPwaq/T+mQDHA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b0cebb3b1a60bfab499e9768a9b05b52
username: gastegger
key_value_pairs: {}
data:
  {"energy": "saSkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "sD1zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0hqDPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jGWavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kly+Pp/I076fPKy+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOg5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "24V8P/YeBb58InI9f1SHvpysQT8XeSA+i41Xv6dvAL7KvKE/VkFEPsyUnL9LMFw//Kl7v1qisz9mV3a/Rfu0vvBuDUC+yNk9KAoGP6SsJkAgn2m+3rAnv/nrlj4tWBBAVOPgP9fUkj7CXjg/jGsGvx9Ssj8uW/m/NWTQvuCDFsBcY908M2iBv3Gq+7+u+ky/kWLNP2dt4r4ovaW/lSe8Pu3xP8BRCsu+VwRBP3y00r+SOtk/42thP+VbY79Aqv2/NqmHv4CAPsDtHSU/SXQEwN/Itj84VHi/LQfzv/1Wyr63Apg/4/7+PyGk7z6NDuK/noQcQIFykb+TBpm/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8e6c649463f8395d291ab1166e122178
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2T3vww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Vpxqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "vFmDPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "miSWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mFFMvjDwTL+pE5C+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "JJh+PuVbwLywI54+ZdWDv0vYa725qwO/RH3Mv4zDpj81luC+1ICjPl/ysj9gVU0/f4dJv8vNCEBsLKk+N7StP0oFZD+CajO+yfTPv5FKdr/cYv6+BWOCv2jGVT+PU9q/ZBCqP7/6nT+nsZm/eY0pwFSyxz82b8S+yLoVQJArOD8Y14A+GCH+PnMMi7+6hpU/vgjiv6p7Ez9XIhbADuapP/HDB8DGbCU/QLscP9pe1D+F7ec/Ij4QQPf8178k/Hs+1QMnP0YWP8DN5NO+j8TdPsOKGsC/8Ki/0vyPvnEnWsDAGQO9wPPLP0qiLsD3BcI/MgyoP88BdMAsgDG/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3511f0d75c67984bb23751841399fe00
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WUPvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ptBJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fnC+PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tp5hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "l+IqvfwYk77JH2S/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQ5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "dIYrP4eUaT6PG909vebqvrWLhj6dzIU/1zYSPxONO799a5k/y4wUPuHwnb6Zq5e/Gl2Vv9xxGL8bcIi/Ri55P2TrzL64KhLAGSnZv4jxcL7nxJw+lvjjv5WWiL9mIum/8QkQv64ynD/CYQ1AopEdwPh+DT8qjIs+bZeBv/ZZCkBAJfA/MaEzP822wj/aaDBAdkiWP4zNLT/cXTNAF1sJwIFvi7/Rx1M/PqTCP8SkZj9uYiQ+C4/4P2KRFL/eKgTAq+L4Plgwhr/H/F7AwCzCvpKU/777nXfARYkzPgDQBcCXQFTAxweiP6AvhL8P7ofAKnuev06KST8m2j1A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d019f8571ece56c2a43ff25ccdff3fc7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+Drvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Bpxlvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "E9QwPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "heiIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "s5iYvkmik7/Ml6c+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APg5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "1pMlP9Q6LTsiT1S+ZVvlvrGcBj2Gr6e/e7erv0EqdL90lf++m9Cbvg8LaL89WSk/M6kWwHBarr4F5f0+x+vPv3+T77/O6IG/2sOiv8xNN74k6ME/KocyvxMDtz+5VYq/j9vAPhpiwT9iHMe976mPPEi27z9fNV4/6fEzwI4IGz+Pc0k+R+gDQK2i9b40t9O+6WaZP7S2CEDw1+2+bFi7v419IL9EvBlAnRAEQE1xxr+wfS2/NtsePl1a5r91i4w//VKOvlu/TL52cRfAIqshQCoabT0Chp+/KshIwDw9hr9Sjkk/Os44QPJrZ74KWzc/320gQI0HLr9l2rw/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e73dd2f33cc4bdac0cf78c28e412aaa3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vjXUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nDNyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Un1nPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uVWAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZK+HvkATob5EhlW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APw5Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "g/0EP4xiFD468U29RN7ovirQcr/Ryty+I56kvayd9L+zuk29d8mgPympAD8pM42/2B/evwhhMb95VC4+1OYSwKxmu78d+Qs9sAPtvri9aL8ccfy/colgP2qHdL4OLBfARdcWPxLtJz+nf68/kGcavzA88r+XbRvAF4gEQJcInD9cUIm/sg1JP+gc1T75C0/AEs7RP0iVfL9PqyfAS2Smvxdyi759jxHAHstHvh2Z+z8UnMQ/lwBgPjURMEANl2U/5hGfv7Gs6D8uCqE/gv8RPhxvqb4X2hJARRFFv2viCL9J+AJAn1cYvqrWEkAS/CRAwYHRP/IXVz++HdE/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1601a39d94bcad2d7b7048ac3e12604f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4Vztww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rhFxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YcPTvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QplWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+IjUP056nz5hVKI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Fql3Pni9sbwZh0I9iJ6Iv2dGKr8A0wY/d6dyPvFZkD6TvrK/hdIFwK/PE79VhQS++jI4PlketD9TUAW/+S6PP8VD+j+RRsS+6V/GP8F/qb6t5i0/aAazPwhFWD3QlQ/ADReBv3+0o78c3d0//z3KP+e4gr8ZcRXAiBCHv2JyEUDT+vK+1a75vwMr1T/e9hi/lbmNv5kUNECNQvM+ntXbvQylur8ZlwpAgv/rv3EW4L9bnQJAuMYUQIqsCj/v9/O/6ssZQIQ9/D2Tcik+0SKVP6lB4j4PQ0/AU0GBv6PVQEBL26O/yf/aPyDnhb9IlNw/iH8sQAfgjr+HIP0/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fbda552c886ff602744993fa9a011d77
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qEDvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "85N6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CFlWPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GhWYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ih9Lv76fkr/4U7O+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "mb5OP2W5Gz80akm+a+cwPjndD7+FNf++A39HP1BjWT9EQZA/oPNuPWa5S7xOk/0/YHrJPvOFhb8pavo/v/2xv92DjT7nEQ9AWj+vvussGT9RD1JAcuS3vQo50j8HHVtAmQGQvnp3Q7xtnYVA0WTpvySGjj8cptk/XO0DwEZPD78cVhlAp5ZSPo6ieL/W8uu/i9xQv8wc1b5F/DLArICaPz8smL93Gw3ABaBuvyex6r/J0hHAH3TZv+rVAcDG58S/+X04vzQ0KsCFmjzAkM3Avz/poT6UVhnASV2yP9G5tj9rAXa/S20Gvw1Mgb5v+3TAZnqrP0cokT+1I/e/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9d76c6ca2beabf19edd9ae76c882c014
username: gastegger
key_value_pairs: {}
data:
  {"energy": "saakww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5rFWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sp2PPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YECPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "HCVPPtIdxLwoLIG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAg6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "htiwP2imRb6wTwK/b7OePgvZrD5UFec+00svP5TGs79Dx5e/gPM/v4pBs7/xJxS/TmV+v+HeK72nFo+98KMBP0VRdj6wyvg/DLq9v+b6XD+xEo6/ZYXoPo1Zyz+87qA/YSq7P4+q4b07YRRAzm9Vvze9bT+WEADArsivP939CUCKIZQ/M/DKv/1e7z9y9DK/QBy2viKTQr03JyJA0GXcvmp4DEAXTLU/CniZP400FsCbv3u/WXfTP0blED/r/Z+/XycoP7pSpL+gYBHAyBXDv45F2L8XfqW/hlZMvxlKBsBpFIc+Fi0TQJfd8L7Kj2w8MSsewJY4CD8HJLi/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 687c4234f37f5d049fc63192e34a82af
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3UrSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tTd4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3ekOvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Pn1Uvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9zvUvVcmvL58mx4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABA6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "2RSDP3lFHj11YqO7fjTfvgx1Ej/SBo8+a6jUP/G6ED+GLDY/SZi2v6Lcmr5mRPq+bx8Dvxk5/D+3OAy+A3LGv70gq7+nQse9THxbvwWwAEBT84u/LJOav5n+HECJ9tg+0Yk+vwBR7D7+sOM/Kb2WP9wWuL+9OoY+n9hVP3mHBsCzFQy/rLS+P32NuD7+ULe/G4gCwH8chD1wEru/CZdcP9Q6Ar7X3wvAIaQUv0PLDL9m2QlAegXZPz9V8L+OFqs/lMe6P3r8tz/oNs2/73/dP5mSOcCkZao/1jOwvRtkkT9zRxVAVSkhQHuUpjw7kcq/nA/kv/lNPz9azv0/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bc36811e08e3ddd4753a096802001259
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3GAKxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "COeDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tMwivQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4xpfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wCHUvQ2mgb+70CS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "PVilP5Nxuz7b8v++DlUWP9rzAb+bkhE/6ne+vo8Jdb84nQu/YtPFPhC3Bb5H882//4ESQPqrgz8vLP2+yhjSPTGKXT3VpPI/jaOHv6q2ST6FqJy/j+tMP/rrzr5AmUHAXErcP79afr+YQkPA49ZDv9TY+r9veyW/15ujP/L4qr8jF0U/0n26v5E9tj82wxS/h5Xhv0673L15ZP+/Z3FwP10+BT8ryxtAMRh9P9lsCD9Ho2PAUxDlv+5WGkBqh569VbIiv0fZWj8W5+I/AoX/vjkUgL/3ujJA2lLTPAsCdL9PTWTAcREev+dzCsBIWx9A3eNXvyRQIb+qGHJA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3576267bccceb4a75d0c445633141ba7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tkLvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Rpltvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SP4gPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bOyKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Ke2NPYvDGT3NWKQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABg6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "TL+BPxMmaD1gdq2+nB2SvaLd4b6aVKi/jlUAP9/5pT8Lymg+yAf2P4CnqD4n32O/byivP/CtZL+ySzU/MnPWP6x12L+hO8c/bngCQImaKcD+vSVAySE0vxwNmL9+q1S/oU9Ov/Eqwz9Ht2q+Dp2TP+YiQsCa1UZAdWksQE2EDMA1vVVAelhmv8KWUj+xmMy/BJi+vpSiuT+RzxTA7xS2Pl9OYb9c4w3AWXokQNxlYMARVwpATWzjv+YZbz8hPxw/JjrGv99tlD83XsI/RTBwv01NJ0ASaYm+vzYOwJ+mBj/ktwfAJoEywGwlCz5wqq+/Tt8rwJbqsD8YPRrA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 43871464a7c2a65b4649196dd206ddaa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/JzBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "sHV5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "p1mgPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "QtGkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MbF5vTihKD/qeMw5", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACw6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "+8FPP/XQDT7taJ08wOLrvnLkK79nWim+b1GrPiOk+T40FLk/OMZvv9Zotr6vYKE/gHeXv84Bh7+pgbC/rSvRvh2jAMCJOyK/xFLzv1llFT4APbE/Y91tv/kyor84iO4/3PrmPiBbxz/DOMg+xJ1Iv5bwSr+b4hbAIMUJQAErlL79sQC/0bsQwJtdmr9fWKy/in0zv0DIFkDRVjy+R5msP4waCkCUOgk/809rP4KFBT9H6RZAS4IPQFF6wb3x78m/bMITQJ4qrr9g87G+fRXLvwLT3j8bBbi+XRHXvmuIM0BqKZK/TFt9v/jKSkBlYvs+bl49QLMOgj7GgrK6", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 97ad4f6443aa0cf014c0e1cd23056d86
username: gastegger
key_value_pairs: {}
data:
  {"energy": "i5vBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Pj9svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "M6mhPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7Imevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vJYQPohotD5SLPc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADA6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "B24jvpj1oj4R07S9OEemv4y6qD/P5Ga+9MrwvqcIaL+pNTw/wi2cPrZgYr2fuLi/6UDHv7cJ4T8tDj4/r7OWP0tXhD9/DDI+mPq+P3K7Nz/956G/flSkP/zl+T/mmzw/xkzPPnkCw79pz2g/nnIWQGLRFD7hnz2+urrgvytn179X0hU/N/q9v+cBbL+Oa+0/ZjoMwNYXWT9DbCW/zGwEwGBS7ryxngJAYVLrP87HqT+k5QXAt40VQIJ5bL9IVxk7Udedvwn9vL8lHjBAIW1UQENPHj9AhF29XR8hwN8zpr8khai9YmjYv1vuMMC2Uxo/V45+v4DwB0BeeWW/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eb46c6155e879e51a3950815e9b932d7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VukAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "AJBzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WoB2PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "C5iYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8G06PuF/Kz7C+r8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "pDqqPh4odT1dZb08I+oXv7fyd7/g8/A+Zg/fvkv0sz+sFys9CgXtv4Er074mEDk/P2FPPxaot77BFrC/gMS+P5cYij2zLoM/2afsvxpAhT+VuOs+Z2uMPyh5uz7BgwBAv5chva9Lr77POwTA5RUZwFMkcL/lSsA/ctMOQMhBUD9vqjg/0wQKQGbLlr8ONYs/vdQnwNMx5j3W/sm++UbHvmGa8z+wZm6/eS4cwAHN4T/QnYE/xGe+Py0167/oiKc/2S2XPweqsb9Ywqm/+0sKwGfWk72oGKS/r2TkP0C6Bz83oPK/t5q9Ob0TBkDI3kU/7F0pQHUPfD5oyMm/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 17132397d4402d3e88908cf05df515c3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "e8Hmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "sfqDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OiR1PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OJ+ivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qoIxPtu/hr92w5Y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADg6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "r0cFPx+8iL0IRPE9KToGv7oOMT9mUDM/dsc+PwYzcr9SST8/HBHFPb16Ab/npqC/3+46vezmmT491Pu/IeRQv6iv2b/iy7e/NyAiP+7Q4r/w+uu/TwGmP0/LF8DrGJy/mkO4Py3pCD9OOEY9pwKWvpeMiz/b7AFA7Bx7P2g+3b9bokzAjhl2veUKRj7FgyhAIjpEP6MiAUBfcAlALenMP+JUxT993QtAsoCRv8GqD8Du0Q2/fdJBP+sCJcBT2WXAE0THv4cV4j/JTCFAEygawHbAiz94rBpADFzGv5pi0r8I1w7A7YPevxxaKkDc8/U/IxK5v56UA0CtR2RA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 674749317489fb4f77aa138bf5aee90a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pKPBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "bqNxvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "o7F2PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RIeAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PGZgvlRSx75PIy0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADw6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "wwt6P2lH0rh17UC+5DtoPsVhmD/bLTw9RNHKPav/gr8dKm2/phFfvyNKfj9Domk/x36kP+Vl375to0Y/KUOfv1sckr8+3IS+uAXZv3i8bb6h0Ro/O3BAwCDWrb6566k/WlhjvNwPOb8UF/2/huBqwHTJ/j7Fz4k/44xhwJF0or9xR4o/AmM3wN61nr69kRpAGysMQNUBxj5yIXq/NPfsv0vQAMDmhv2+q9UHv7xccz/aefs/Gcu+v/118j97DFM/UDX+PzfOgT/R3+u/KX1bQBqi4rnJDDO/f30cP+wP/78XU3C/ZtppQJT4Hb+SGSo+faKIQC4Xjz7Llam/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5b0c1a85957c579f10da5b13f337ba18
username: gastegger
key_value_pairs: {}
data:
  {"energy": "i+gAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jxx5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eEHEvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YJRgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tI6avqTfNr8PuZm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "odkpP/ZfBr/78o489Wcnv7d+dr7iXxM/MbDmv5msib//Skw+UKgbP7Q6RL9Qy4e/QlvUv4/FqD6RZYq+7dGzvyGq8j47dam/nnwWwLBfsj8tlJs++B2lP27x3L/Mgjw/yLdKwDMkwz9QZUO+oQzTvydf8L87SAS/FsLIP7TkNj/tHUM+nB6aP3JHyb9Gc+g/aLIewCmJpr+yKII/65DTP6ipbj/Pe6E/PE2CP3F+9z8l4AS/aAgjP1gVPcDleuo+eM4jQBy0AD9de2G+jJ5fP8iMTsBkRd6+zaM7PrfZHEDZ5ju7lPgWQB/Q47/e/fg+vSG3P4DdFEBYzMq/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7ad7aa2d3476c870159e78e0e0c58fe1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IDvvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QWVsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VaSCPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ttuWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fa62PO7Oer5+4yu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "0mzSPVD0Hz9o5Eo+KwLnvkHheD19/74/Qg3avnwleTwf/I6/JTnpv9Fr0T7nFMg/0o6mvuTOg7+Z8MM/oiLCPVVb9z6ZnxZA9OocwEVKrb3OGi5AA8m+v9ZTOL5D65u/KQZyPhKCdD+bHQbALAI+P4WMiL/EYKy/Qaa8PztNaT4cK9u/pfvGP9vAYD5ArAC+MK8YQDqLpD6dLRPA7nimuM+XKT9w0kLAyBYawJR+l7/thDFA4OQYQA9yHT9bueY+ohW9P3vtnr+enQW+XpUWP5eh+r9fLvq/fXD/vz06oz6q02hA9eRfwPNYZj4bvStAcPAdvaOZ2j+e5is+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e65683ba271d25b6147fa9d3b5425eff
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BScFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "LLaJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YfvJuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Po6Gvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dy0BPlwbAr/CL5W+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "OXOoPjAvgj5165u+Iixuv8u7yz2Dfoy/JeAfv60sbL+7HLq8oj+Wv2rWWL+HaWg/SUDFPv7foz+ey0k/kH7hvzTBRT96P22/6p/WP1BrHD2S6Xe/NduUvhmmFcBYeqO+mJk9vyAPCUBysZY/mTTQP77WOL9ZnN+/z0HCPc98I8AmZs2/V/xSv6k5bL5o5wfAmve3vtb4TsDZWvk+oJzmv2PzCEApWHg/GbyYPgD3X8ApNdW/bv4AQM0Gej+BT7W/1VwbQG/wi7428G++19OXPnKrLkCFj7I+u0qRP+Bxij/kq8c/y+iNvO6bT0Ac+t0/cbQzPxS2OED/0BdA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 485842364f2d92320a978019a60a0e10
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4guvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3BBjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "41VWPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OnZwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QE2tvf9bib11zWS9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFg6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "O1oGP0LkFD1Vv9k7iY5/v9rm2r5xjki+xIKyv5EpLT+ldlM/QPF9vYRIqz93Rvw+VJmzvxq/lD51tuw/qQw5PnpSjz/42YC/1fx/vxvWqD5s5sa/ZILDv3Nm6r+AtJu93XPjPjd9CEAcZYM/pr6pv1bmD8CheGo/Xzwyv+CBpb7YJxjAsF/1v4EGXT/+eeq/Mr4UwBrfnD9H9iE/kQPhP6WCML/175M+wfX1P12Ly78lIpu+M3qJv+6+H8DXllG/Ya1jP4P63T9KHca/xKMrQMwoqr5OSpc/IS0nwEUR7b9btG6+f88jQLQeDD/CIOc/8hNmQCzxZr++/6c/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 781c3c842da0cc0172117b1927591e66
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lD3vww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5bRnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CJRNPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9IyNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BRdrPj9XG74Dspc9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFw6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "uPqzPnEwY77h4Ye9bospv2jMaj+3BDu9ujQgvfqT1b/vcHC+FwkOP95Vlr9xEIk/+XK1vuEGib/EJQlAMWWWvuqS8L8acCpAUxPJPx73uL+EHa0/rJyxvxlJAsAu/mu+Ld3av8Kh7r85eSo/goPAPwjR7j7LolO/0JdLP0xW6D+BGIi/dGQgv5nZsj+kmcK/ZyUOP0cuE8AhB2S/R3c/v/vlKT9VuhTA/hzKvzMVSD/f2wU/lPGBPsV8BEDW9qg+PD6jvw6tEED9Cdi/V/eevvXmOkDRcY8+peuuP90SJ0CHfMW/b7DiP6DYMb1r5OC/qqEZQPxwFj/pQFu+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9a905a93848c06e7ed89fe38f7e06794
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nqikww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SyFgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WKh1PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sMWOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SinYPoLFob0Spb09", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "VEZmP6eL7znkQAc/qGuYvvamCr9VLrA/yykiPekKoj/7uR8+yQuaP6amJb/mgFW/KOmYv/bDGz8FXlU/BpKjvedswr4i+RtAhL9ZPlVF0zyvfOi/pbJGv9Ku/L8LB5g//k2PPwti3r+o1VS/d9AOQDnpzr4g1o+/ouaEv92bC8CprBQ+YVs7vIepLMBhpb4/i6E7vfqysD9eMqa/Jiw7v0jwB78sE+y/8q73v5pKjj4LBsw9gI4VP4H7lj0g7jXAsAfoP8NwLD7UQI0/5YSuPnLWDUBpuxk/PyowP4woAEBS1M+/farVv/6gCsDMXeU/1cXavxaFmz+CjMo/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8b381770c7080991d794671d32e61617
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3ywFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NQ16vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZypEvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "j8ptvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZJJ5P5YEgD88pdO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGg6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "1r2dP03TKr/wJD6/PHQRPDBGrrwnPey+Ig/oP+ci279JmTG9dn6vP1DaEMCA6G0/gR8yQOHd/b9V5wG/0hVZv7pcyr53kL4+64LtP3TZjr3dtvW/6a6WP5mTpj+YkPe/XS+jvXSoiT/E8aS/PMICwEOc0T4UTxk/XSjQP/l7JL+c2jTAxCE8QObln7vxoOe/qW4BwCagsD9oqrU9QArgP9y9AkCN166/T10QwMifGT802ARATTA5wNuvHr4bQUE+g/khwP3Q4T9LzSlAoFZ8P9N71z9u+zvA/84mwCW1K0Dj/wRAKZYswC9/7D/1Lm5AG9wKwBVKnL7JAytA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2f8e8f0c931bd1ba6cfe372f7367948b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G57Bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vw93vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3J+LPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1m+evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "k1Kwvm5Mr75KtZ++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHA6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "kxhPP8jcrbw0AD08+Rm5vp1YhD4534c/KhAavm68Wb+SK1K/FWakv8jJFr9HIUw+vxEuv84BoT/EgK4/H9HSPvntFb9S6gZAQFqyvwmtpb1YTZq/wlq7v4ymsD++z82/xkrrPUV85L9MS6e/sbP9v3b4qL+FHhg/22s6v3rq/j+ajYq/aX+kv2tOvz+CsyvAXh/JP6ZbUL+nYow/+kodwHDV5D+qsLK/j9TqPxVq7L9CVlo/1aADwJ4GNr/W9OW/OLrrvX8tvr923BtAzuzIP0h3ej8vjx6/okQ2PzUV2rwdxD9A77a2PwnLaj/9ssi/jNAeQAV7j75uc7A/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 887df14414e30485802aa9361d1bd2d3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fTDUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SwV1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "o+eWPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jjygvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "iV5GPmiuU7+vd4++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "tMszPnHjdD5vE6W+o7qfv60ZO74obii/zrPMv4UYaL9P5sM9GSTTPqEJkD9ov22/yXqIPs7uHD8ONoc/DzeXPyNYYb+gegu/E/qhv/EbL7+IJtK/anmnP9r1r70yWd4/3/HzP06Bir/32EI/ccMoQBg2A7+dn9m+LA9lP3hN3L/ZO5W/tGAEwAgTdj9o2yy/ZfoJQJXCBMCLAI8/uFQ5QN/sCj+bO9G+RSRXQJ1tkr+lPW2/oC0DQKVZJD9DIwZAbY1jP38GGL9ZUydAT0FbwMp6KT9BjGO/Ti91wDBNVDy7EMe9vqZlwIwLJT7Wpu2/KV9+wDaNzT8fjWK/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 740a4ee483c1f6c333aa3458a01f7e16
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TdToww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5PVwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tRV7PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qd2Xvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hhtYv0DBRb5MVK++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHw6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "FypBP4ZeUz252jA/gbtTvR0Pr75JH8++MCxxPyK/sj8ZiWY/GuCzv17RZr+8ag48PvajPT2uxD4O3du/K51oPZUH/z+qQSY/I/OZv+T7BcDHYVY/L64PwGdF3j39nko/EPQawMbxgT/gh1I+HcmcP3Ngwz/Ud/k/vFv+P33/8D/vdQE+Fm33v9G1j78ly2+/xBUGwLv0IcDM7YU/yNIlvyP4McCyWqw+hnEtP1kYf79ui8W/j6fgP0NFh7/Nzrm/AfpVPlv26r/m9wLAE0Pfv1Qvvj5y99w/mx9FP62amz+maOK/qSJOwHz9or5VnoU/D7lPvx4M+z5T3RTA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6c1ce8d29d3149602728135272d8e7d7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GjPUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9+divg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8paLPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uFmUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/AAkvBObbz4iVOk9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ygLePlOGhj0XnU4+XuxVvzM/mTy5yoE/pOQFP/vemz224Nk/jdVWP950j7/aVee+eltJP68+nj9H8jC/3PSPP1MxVr8d4um/N8tNP4wsgT+AiAtApOsCPiSzBUCi4ge/5iYmPyBUGT9KVwXAuTUNQH2eb79yuv6/kDIePxv2yb8pAx3AQSnUv+J3n7+FRYk/GJKDvzwvCMDv8nE/Kh5jPx0SU7990gtAHevoP57Rxj/BgwK/eVTMvjTpGj8FYxnA5KHLv2Zmmj9dQ30/+yIawCC2nr+zlI0+6ZoLwInyqb/RDAJAcJH5v50NrT/hnu8/Wi2eP/IijT+ysTbA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 824e9d7bd2eb012fffb0eefdaf18f943
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/8Hmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "h/1+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GjR0PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RwWevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "rKiRPo8ZKD0qAEY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "R7EJP0KuoDysqzM+A8h3v8nc5z4LTMk9LG2rPaWuuL8Xnmg+ggyqv8PGc79TKSg/y4ZWP1qwD8AhQo0/5JeAP66snz4G9o8/hboNP1wySsD8AoE/qlesP9uXtj6aNm2/TEStv/40Dz93t6G/ZL4CQEbiyj+6RUq/iW63v5fW1T/SWWA/pvmQv5v2zT8PoPY/NlIJvwhLIj/KbOO/jBu2vyBUdL8PgN8/mvytP/swHECRJDa/7mUsQKtSyT8QncA9sIEMwGhot79qM08+IguCv16MJUC1mOQ+zYV+PWYh7b9rPEq/MoMhwPEB4D+hilU/6RkqQHta2j8WhNe/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d62d9fcee34c2df75a30ae6fb359b6b6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "G53Bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "9MBnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KCmwPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GcZ9vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yLUhvsYziL79MOI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIg6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "2vstPzf32L0soOA9of4+v9tx9b5cN9k+Ck8TPl0Zsz1rEsE/cPybP0XYez9CsVu/oT7xvzFavT72QAO+D6WNvze0+b9AD/k+r7NGvBFDjj+2v+o/bs33PuawFL+NxBJAkLULP7MVoT8rUNa/YA/oP30meL/oibO+W1DIP98k8z+NLL2+N8wSQAq1KL1wPpi/z1ePvn8fI8CJnGA/VQ8DwG8V4z3/Ipe/5+dIQFIyT7ya0e6/fq8HQOSy/L9s6qy9F1atvxWzFcDXEAK/X6fUv+yU4j802tq9D6j8v6ecB8DPTpE/IHDev+qoBECJgE0/ogE0wG5u6z12MdE+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b66e18158b7124d2b7a9e4c004f7381a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jra/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uOpavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "trmRPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yuORvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7SokPbbzPb96jR2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIw6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Jc4xP8wZL78Oq2w+wykcv3Jkkr+u1Km+nWYcPw4khr+SpaC/RArSv/ebgLyWyLO+D7VUP0BK0T7EidO/3KJ3P2te9r/pjeS/I2VUv7EDnj+OZAM+IkAewDI1X75dc6k+HZEePzBWUj/OYiW+4p8EwM20Bz4wdqy/Jr9yv099xz9pnsY/u2IXv/43ST/5AwdAqsWpP53vmL99hbM/cz32vy2d1j8elec/3I+Ov2gYCEDoSuK+gK0VQJQQl78Yh6k/cdatP9LNvz8P9og+NPBsv21BCsC4Puu9UzCGP6+6CcA0Vss/GgAWPhrQWT9msRjAX6rtPxiJFz/Ui/2/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e7d6e4b36cf5dee17e65525984ade7d6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hqL5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "X+tyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "O+C6uw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XRRtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xeaHP7VP078+rk2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJA6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "vVP5PsGcNj+nvX0+n1jXvt/4l77f5Q0/cQHWP9Nqgz529s++ggHuv/IJhT30dE0/5IO0v4SsTb+MY96+A3q1P21xur7Nn6O/avnnv8eEoz6csLO/k48TwLq2jj/3vTG++x2Cv3BnRD/GHADAzR8qwL5mhT3JBgPA5No+wMlEBkBNkG+9hzUXwNvFTr6VrNw/8tEJQEDulT/baUS/mFEnQCyqAL/V8gI/4vA7vQCyhb+eVaA/7pU0QMEbKj0HALg/wCHOv7GT7b+sbha/A7EsQDGoAMBSMQU/W5gOQAhRO8BnS1U/yJprQIhus78zB1+9LP2TQMRMuL9fdBK/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b36fd44849b2bf7b943ea359fd29eff4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "na8YxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gT6Bvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "O1LdvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5NMTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IGPuveviHr+DwGq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "TnqqP0DMgT4byP295O20PnxW/T4Sq4E/IWj1vZuKvT8di2Y/BLEav1R5Cb8IN3Y/ru46P5uIGD+qs76/Y5bMP5ZjUL8bFwO+rQ9pPy5B+T7vCvs/MGXXv4nisr5PSO0/+AoNwFf8GD+fC9M/2de+voPyhT9c29e/9tWqv4ztor7bdTlAfZHTP5CTxT7g0yzA8hUeQLUXij/ceZg9NkszQNZ52jzPtSbAXp+UPy2pGD9sAGvAu91JQJYARj92zAi/Nw8pwLmRwb9BotU/GUg/wF2ow7/yPSA/sswGwOYWHcA5ve0/lEJtwN82qL93TyVAFfiKwDqmAcAf+R1A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 56417a0b7afe429f60c5b8e98d26e6b1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "j7K/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "e4Rqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dJkaPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bJWIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hGThPmk6C79iFa++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJg6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "LBBFP/ZopT0iTvW9mda2vsTutr4rrmI/dsWGv9cvgb9oGYG+KXtbPm04i79jzIG/Y+2Nv8iIIj+1kNA/Mo2mPVzkib+CIMw/bw/Av5hM8r/mHQO9vasKP5IIvD8l4TK/eEPcvz7uuj+7RxBAtYkQwMPMDECY+TJAvhQHQPlqSbub8dY+g6P8vk1OzD9daoK/AadDP45pDkBR3ms9gbQXQHzDdr9ykh4/UqBLP4ZT/7+6REW/4gHFPSm8db8QWiHAda4yQC6nuT4oz3O+IXf5vo6Ho739KzPAlS6LP4a9Yr+I2D7AUU7MvoRj678PlzzADOeYP4PE0T+p8Me/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3525f320e79db2e9b572a5671b553043
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nTLUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uD93vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DkuDPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oHKcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YygHP+7Omj4npWC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJw6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "J/JtP0O9ib7sxpe9Wy4Cv349U7/mIEa+keiRv0WNO77Dc3c/EKkSP4u+nD/CZXc+ta11v6vLhT/+DTw+sdOZv1vJZT6WAoy/97Qyv3vBE8Beu5u+T7g2v//HBT+ZegHAAX3Mv2GJ7z/e4f8+aWkQwEsiKLxq8p6/772WvhTtM8AynxQ/u61tP8xg7j/zSBO/mHXPP4ug+r4eZKW/CPIhQP2tRr7VVJi/OwyKP3L53T8kFss/370ovrWOK8ASfJe/yKK5PxWvPr9jiEQ/o/wtP6Azjz9sehlAMM3gvx8xJMBb8Mm+c/4KQB+52T8WA9I/nClFP/FHMUDdgOE/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 93a54a17ab2613e83d8befba3c54e646
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ee0AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6416vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7WKavA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jUFnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qMa7voV8yD+giVi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKA6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "3vyrPjQ1x72+prQ+TelWvyZPZ7+DfHa+wtfkv+zYAr+vTBI+LBHNPjtIo75mGrY/0Ypdv1TfY78s0OG/LDhtv8kEDT46ZQnA6GuRPVzDqb+FhAnAP586v4q4FcCFR4A+LS5PPi+OtT/vtzA+D5qkP8CH1r7ar669Y8cwv70H5T/RMzA/nbmsvRbOP8BNtcG+khz/v7Xb07/XjArAkbH/v/Da3L+88EfA/BWfv4A1MMAL9KA/UrajPUKa1j+ZvGK/3gi6P9K3CUApjSc/KmUkQEYr1j/PtA8/+iyeP23WWUASiZM/07mfPnJkcEDdSqo/v6sBQBrWekClpsA/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 793b7ab6fe92de3757f566707377d402
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7eUCxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UWh5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ysEsPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YkySvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "A1ttP+OIhT7KVGm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAJAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ayVnPgmhGj5ewSK+6AIsv3xkh7+kPdS+2hDmvv4Jvj+x1BE9b7QWPohW/77cBMW/1iSDP2IQhr+5LvC/9k8hv3HEdj2rOSTA6MhHvjqNWD+KUjrACGEDwEQeZb9hc/S+57MQwCpBF798da+/DqzCP286Xju6ERc/sC6tv55ByT8fhRK/kqdvPvN2E0CnDGi+m/rDvoi7AMCLwWY8xPROv82R0z+djq4/AnoUQOO9Hj+o9zg+yWTEP7K/Fb4x1wVAs4j+PxrFpL/brJw/9V8SP4Sjbb4sGSVA35atP0KWCsCF3JU/ZBhDQFFPwb9UJ5Y/iJcRQGXQ0D5RAypA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 800753cabfd9e21bb02a29e460da1a09
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MiwFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "DTeAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "41OAvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nmNwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lYKyP6/O4b4XSIg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKw6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "5QomP3eCi73GE9c9w5i2vhXkmT3mJ0i/BQmuv5+cNT+lFxy/eQVEOmjfNL8Z/ALAhQgHP0/xHD+dxK4/Vn7Tvl3UnDu0tRVAVKl2v/xqXr/LVv8/AAFWP/JGBUBx8aA/vC6FP2TP7L0mlR9ARGduv2rLHT+5lkRAsubTP41Gtr/wWhRAKmGTP7qaA8D6ick/7r67PQubJUCEXyM//uLpP3KsDkAxdFE/jL9UP0+XIUAxSBBAJ50sQOC5pb/8zgBA0FPSPxBd+L/M91FA4Ug8Pggh4L+pDOO/rvdyP9Yupb7b9BvAY1ODvya+Ir9A8kTAe3fovwDaGr/AxHrA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 28fe7804f6614cd1bb16e287ab260d85
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ib2/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dVZbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Tfe6PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "X7Vyvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "D9FovJD3yr4rNaM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "fSiHPw6eBb5f3Pg8CuZYPkytCr/um5I/L/0PP9MSlT4STJi/mREbQHKnG78g5MU9OUKcv3wQ2r3rA4g/PDFXv/pBXj/fL5m/qgN5Pnwd0r9fSKA/WLCZP1itnj4RYhPAWSzXv4KICT+kz9S7dHoIQAX9vb0CVA7APzSpv9kjCT+QywfAdTs/vy6c+j9x5Ka/uHYmP2ItGr5M6wRAkZstQJmfNr8/eJI/djYEwG755r7mZxBAa/YEwLAwxL/+GhxAHMzWv9j6iTx43EpATz5GwPcJ+L3FmQdAmMIjQAGayr88g8q+H4JGQOnr4T2yKr6+Tz0uwF5HWT9Kpxy9", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8c66adfd066102138b9fd7c13350f2e9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EC/Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7Sh+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "u1+FPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZWygvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XYrLvojXhb7QYT4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALg6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "/8eAP6UFmzyCLJM+0hSnvR1jDT81ZzW/MxJsv7QTN78Fttu+cJ1cPtjNpb8XVOM+utc0v55/9D9DvsS+e9WJPxrMGT9SXps/ocrTPv7+Bz+qEQrAds+PvzUfhL+WVoM/IurBvzo2m78ed5i/g40RQLpt5L3PzKS+gswrP5LeEcBqc9s+FeuhvxrJo71/LANAmDhbP9LO3L5G7hrA0MmVP8Gzpj9uqhTAfurbv6Z0979alJc/UDMKwMd5jD4LfABA+NLZvqcsOT/jbzXAfrOAvzm//D/wuyk/3RvHO2bsLUD78xW/7TM5QPHF2r5PoK8+43rLv3uwBUDt+YC/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f81d978f39a25d44f30cc37051dbd278
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/lrtww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KT1zvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sr2WPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "cAqDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "srqVvZOMPD671dc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALw6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "+lbQPqEjvz6m+Aa9L145v89ajz51O4G/KMsNvLtWtD8ncXI/fPV7PxPg3z+pbaq96/exv42M7z/Phws/WMOKPnoNrz+UMv8/vAmjP/1uU78FBnk+birVv/0EnT8d3za/h7+5vwLsPEAWycc+kt1OvxW0Dr+w5/m/aXX1PyNa2j8EY6U+6LrXv7As474PmB3AynPiP0sRkb8wuC6/05AJwNsLyD+o4KI/u04BP2efAcA7zU4/VAVZvv4yF8CfGmE9g3qfvbja2b+gFdg/K+8DQBHPB7/BA3M/uhu3P0MlSMBVTYo/qScAQO2lOsD2XPI/DA1qP2sVfsB0tac/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 768a186e18154df82fb12b3f40b57ea8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "c6zcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Quhwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TWrovA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+NpTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aqRlPk2h075yxLo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "YTyUP1HHiD787vW9EC45uoRtKb8cLnC9MiKMP/HNgb/gfGm/2MN9PwKlwD+bFnO/BAfZPz3N2L9Sf+O+E7a4vxVDM78buqe+8qwHQNfPuD5lfYU/urXBPsgyyD8mKf6/1fC6Py2PGkAM/gG/IeECQApxBr/wztY/s1ZOv/V2tL+tVWw/HFzHv/1C4r5Kb+w/qNALwGmAiD6Y5Bk//pFvvyPDLT4bhSBA+nr5v2eoqT+rROs+P70nv5sKHsDM+Yw/9hQUwB51cb8QCx1ApHPzPwMxnj+w8tQ/zhXqv545kr8Gdp6/UytRwEFMFT7rrxA/cfdJQMlk5j4GoDI/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3d422a831bf0fa6e661daf24e762b311
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Sy4FxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "H0x6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "CVG+OQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SKt6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wmmRPwXAAL92bAQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "5hvKPduFTL0Q7I4+ibBVv4AW+D6PnpQ/YElJvvJGpLsLJ3a/Ew/2v9lrcD+UONk+1lTCv6uHIj/JCoS/lpQ7wFxFuD8GnVs/XOa2v+zkyz9CoMe/VYmYP4D8Dr9DU1k/tWdCv3PG/T7GmQpAs5sJQEqTjb9lEDa9M90jwLRGar59Ed+/RfLbP3Di5r82dEC/N+BSQK2wdr7Exu6+bHYpwKUqmr8J6KC/4LpfQGburL8BMQw/U5ZTQPqMRj82Sbu9UcFoQMw7h7+tXco/A5ZrQGeRuL6lWry/+9mAQCHzD8CYxYI+TDMRwF0Rx77pFjLA/DliwFGphz4aXNu/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9fc3e6e56d94ed00c8013eb7c585057a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Gd3kww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4pJzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+kb0PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4Q2Jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "a9SDv3WTiD7LocU9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMg6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "TZpZP4g+tr2y4Ko+c8Mcv7Ylnr4u1cO9U6Sxv+npJb/6MY8/gyK4vwPt07/Nzp0/5MMVwMHWoL7Kc4A/0iqAPwljHD4UtdM/Q5zkP3W9q72NsgS/1/BIQFigPj7+fma9nj1VQK8koj8xX1O9j0ePv1Jjhz94zBa/ZYhVQKx8Pr6bznQ/dmd2QLilib5vRUC/kg05vxzPrr9VYpm/nZLmvuh2FsBmnk6/x1Fqvwh16D+ZXTg+iJvZPQXGTrwA1gFAetoVvdcUkb9S3QDACIXfv3sRtL+kEcq/d1URv5TbqT9Nmr+/IzUhwPGKcj8O71O/CZE3wLwJ6T9CV4O/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: df99ef2991ef617626ec355398e5c704
username: gastegger
key_value_pairs: {}
data:
  {"energy": "w8bmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1PKDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iXlWPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BcKevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tqFivU6Xpb/Qs3k+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMw6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "FM5QPyb/ZL5XLu+9KcatvhZxjb+ug84+ZaK5vxbnTr/4Bh2/GTSXv3Lw+D5hz5K/zFcvO5f+gj83sA+/QBm6P5oQYb/ASK2/hnM7P6sqhb/MHQrATIa6v5fLxb+ihra/r/+OvmX39T/W6PA+Ns4wv1nHI791T9s/2KLyP51voj2iNWw/KSudvSXcCsCskeA+yJgBP2SozT9vGau/6QvAv2pRir+Bpv4/3e29P6iHBj8tyOk/iyQbQLhhVr+6Bpo/fDYcwK05Ur8nXg++4J4lvyHisz+o2pk/g6nzP3Dx67/xbIy/f1woQBRURj+KogE/secPQAKAdL7TrN+/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3ab2bfc07955751a9a4c9c7c2d0f6bb8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7KbBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "MgN1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PPiJvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KsRjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dTx2PwIO4b6NC5e+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANA6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "1SaNPyoOgL400zk+xK0DPt05rD6mE5g/Kfa8PprRn79FhDS/SHRhP5Y1Rj1JB6S/KpgHQL816L4V/QA/O3T8PXAgTD/uisG/pGEDQCjqIT12HA/Ac5ygv8/P5r2yZy4/7BOLv/JDpb/r6JK+B/ZaP1vSCsBQK4G/nGXnv/Ddmr8cb42/0KaHPpgPQb4sYQlAPxqpvxu8DcBd9IM+imYTwDivyT4uU34/8M4xQAJpO7/hxPq/2HtSPoS16z98pLg/3tUkQEAvgD/G/Q7Ao44fPg2LGUD9vAA/NNyRP0rrBkA54Pg/27ohv/5BCkAPWwRARFPdP7JkJ74vx1DA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5e35d5043c057c51cf086cfaa01bef0c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "VjPUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "PzVuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "emzLOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "o5B0vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XHfzu3UCGjwgtQk9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "i4EmP++l+rwMQ+89Rf8/v+yJBz+gFOY+wU+cv3kmJ77Hg5U/0anFv209FD+4vju/rNQ3v+bZ9z90nYI/Qy0GPysgpr9ZJQi/yIKSPzYJLz8MFBC/lTzUvyAmML/7yK2/5jiOviH1nL/Pgdm/3lELwF7hsr9HZjG/0sQQwET3C7/JjRDAsGctvooQ+z9CXvs/QhpzvhzaJ0CaW6I+a+BJPmD9Er9LyBzA9WGsvlViD8D6swbAtnG+P7CDgL7AXKs//23ev79qEkBG1Jg/fNuQP7MVhb/b2/8/g40lQLMt3T5l5dE/aCU+QK/8mj9l6Hw/t2JJQGWldj5AHCNA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 14d103d0db5e279d4dbe1f6b4b4b040f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AUnSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vCNjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "M09uPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xFuPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BP+Dv15oLj/0Gju9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOA6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "q2HsPrCPKj7SWaK8+XIIv37k9D5UnYs/Ojnevmdc0r79HpO/T/KMP3xQsT8UP9i+7Xfpv9Nrfz6Ws3i/7N/aPgrF/z+jVzy/s+T6Ow3kXb6xPAjAi0rzv5SJCj+yMwQ/4FMGv1f5vr9VP4O/P5fMP01oQ79Ij9U+q0pYvgujjj/jZvQ/yj2UPwih1r+f6lM/GFm/v17WHb/qwqs/8ekIQLN6ib4IvJ0/NrcowA2Fyb7tM6m/3lPwv6rtA78T0hFA9GckQJ5Rj7/1sx2/c8QpwO5KnD+QjWc/GoTyvyCHmD/WtsO/wKo5QMrdib63+Ye/g7sHQABm1b/sI6y/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: febdb16d1e45c4adcb0a794bb2e8ae49
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4BnKww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8WJRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "FVeVPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PgeOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PGv3PsL6v73LuZS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQ6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "hRN+PznDsD1Qh46+qb4tvnHfhD/y9AK/fE61v9azoz24Yiu/xw+wPn8Zlr/o42g+Gs4KQCXPODyFhZu/GbgVQIUWET/kWjs+Uw8NQPxANT9W9ALAGfN5v8epsL8+zO++jY13v2ulhr8hGIE/iwPXv44dcj4BClE/kdqlv53CEMCd34C/OMglQE7kdr/skre/N0VGvwN0tz+YYVs/mhR0P/t8AsCuae0+nDiWv+Wi1r+BcO8/dUwOwC+jrz7HNK2/NtcfQDxE0T8oK5U+s2O3vfxpvT8PsNo/8To4QJDjCL2og2g/stzJPJy66D/LGaC/TcCwvx36FUAoy1Q/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dabef62201f2a24b302d7058cb8cb927
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7a+/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HY5evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "A+2OPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TwKTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "rvAmP8P1GD+w5gA9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOg6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "QzJzP0Ot5j1tBSe98w2GvYgVlz5XvJS/0K+7Pqiktb6PLqM/8OaOPwBmNz+hI/w/FuffP1U9EL+KCLy+wq/IP9dzqj910yc/RfAOPzkNAkDZG8U/IvD6vh9PBkD73qE/CXJdvxhTdT+lXFC/tF8ovwrSgr+MGs+/tdo2P4aKo7+PgcE/H0AgQC8g5j8vE8A+R29zP03dOUAmYANA8UmxPJ8U079zegzA7OvBvxGC5b9CpjO/kRoHwBZik79pIvG/rlPSPzyxCz8XqjlAEN/Wv3dcnr+O2go+udfXPppxSz9EmgDAmJYuwCptiL5Zrd+/8ywewOQp679lTCnA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 62a6567d2f40c30787f48c754b8de9e4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "M6vcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jbRkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "e5+KPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JQKVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "q+w7Pk4LHr5OCy4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOw6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "3CGrPgiFGb7i9OO9HZg9v3aRnb9ndB6+sJ6IPut1jr9SJaK/5Sx5vmJCV73fGA7AsjFcviqJaj/ab4m/D8nBvz7ByT5hw8e/e+4XPlUs9z9G6Je/5+kDwBtJKL+2Xh+/bDEKwPvgfj/CMQzASTkpwHclWr4J6UI+deNwPzce8b8Z5s6/4aUrwHy/sr9ZwZG/67Msv6ufA8Ck6wo/WmysP6Pr5Tw3ynY/q+Q+P7XdLj/MQwRADCvUP8zqcz8Qr0ZAD1QGQDP69DwDzmBAuMAeQHozzT8SNDFAtcrfPyQsdL//XKI/DQKOP9ITuz+zlnlABusMQNrkHj+RSxg/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2f89fe54322b47937ed0a2749b010523
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EEHSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "v7pqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0H6EPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FH2Wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cT2KPrnfobsV4ww/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APg6Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "uHIZP2yERT0napk+QGo8v+ykMr8Ztza74mW2v2h3JD+UabQ+XOUiv6AG7L2al7W/E3hkvlw+jD8nhvS+QhaOv3pTAMCUa4o+U4S7P66fjr7hnJG+zZ/Lvz099j2wrvK/bs2LP+Qtxz6OO9k/v5C0vwlOfT8OEbE/ruAYwJMdWz92X+69CBCQvxKHCMADzpw/Y1iLPowtJD+jAxhAjE90PnIVJ7/mWRnAD6XHPwGjA7+lEgdApqSSPxmrbb+C4wLAKMq7Pm2Pl7y0PUvAnCoHQHFcxD+Y2tY/PTTVP6w9HEB3vKE/6a8+QBzToz/zxoc/a1weQJj94D835CtA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f5e46848d7d6f448649cd9e03fb22ca1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "w6D5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "J4R+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dy83PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AiiWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7UdKvpBJHj+dujK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "LehKP9Zf+D7/r0e+jpnKvhaVvT9eg0u+jOedv/K70j7K+Ao/CqT6vKQGEr8/bBg/prEqP0jIwT5Qn9G/OoWovyCipT/TPdg/c9FVvgup+L8RtHa9L3voP9zPNj8r8eY9bcINwEIIOz27e2M+yAB1vrnQwT8NLtq/MAunPlGtLb+hx88/Lso/vyseGkDnv3I/ayGQv7Ojpz++IBTAd5SZPUQfOUD5yL0/t3OLPnrMGUCdOwbAywfCv2kfSkCnjDY/hq3/vvEg578bzo2/viCAP2UXMMDF7oA6o88AQJNoWcAhio89zsg5QPRpfsBER/g9Fx+Ev0gxHsCtsN4+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9c17c2626d8e7a1ed55bd0ed68cd9145
username: gastegger
key_value_pairs: {}
data:
  {"energy": "S0jSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6KRnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "b2RePQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ap+Pvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pidUP99scz2QiEm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "4nqAPziv+77f6Ha9lArHPan8Hj/n05U+Ccw1PpBx478YWK29xnoTP5UZ7T7mDo6/hzGdv9fJqb8P5yS+nROrP5dpjz+ycKO/2hqlv/Lxqjtbj+0+4nj/PofV6T+W4Is/o+cCQF5CAr9gQ30+947AvxHVsb02v8Q/ULCoPk70EcCPlWE/phXAPq0t0D9CZApABXsEP4BnL8DCVZu/kpEFwIKVGj/s9Y88cvW5vxdNm7/5dJK/ybTvPvKdDsAbfAvAiE/IP4E5A0D7LGw/KlzDP/xWScAS/4u/BC49vu4KZcBx8py/eFmiviZrPUBSFlM/fcWZvlK3R0ClKgC+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b16255584bfc61bf9aeb8f854ffdc80b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WMbmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HnB9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "VwdAPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+riWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "FvY0Ps2vHr/O3+Q+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "W1CSP0OibjxpSSi+kIzdPUNXjL/skbq+pYXNPi3ppD/+0x+/XEOKv9ybhT9iPFu+AKryPlgArT9LdNu/JeC4P4yAYz5tjJw/1kSYvwar6b56YyA+o14EQDWZGL4VrTq/zVqxvEgynb/9S7m/w/ubvzh+EL/Y9J8/THyrvxh32T8n+h4/UmUKQO+4uL6qmr0/5s55P+cAHkD1ge29irvhvyYeoj+Z14S/gLISwNulkb93HNu+0MejP3HKD0BgWkY/+KXgPvWEHMCUZoc+WS9GwN3GWr/D2Yk8PSofP0/PFcAsYqs/25ipPyaNOcBFOkS+YXDLvo/FSMA7tAc+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f3d5a013ae0f7cefbbe137fe1e3d4188
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Vj3vww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dXdtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Wmd8PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "pkiWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ICRrPso3mz3fpp++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAw7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "beBQPy7QcD0TTtO98OiTvnPEib8tQTq+6kiSvl8djj9K1O2+Zkqkv8XyLL3wajq/alsiwApCN70ttrG91ARCvooQjr+uOKo/egILv7282z/KNdM+6Z6wvxuKHr4+pOi/fFTFvcBQ8j+33s+/vfoCP8EGJ0DqMLW/6EpeP64l8LsRYrI/1u8HQLnq+z1ljFi/bGhbvu+lAcAmTje/z6P5P32pXD454PW/HcuYP5Mms7+7x98/DZpFwEH7Ij9P0Pi+w/GDv3VFkL9V1QBA1H7sP4zh/b8eYI0/epcsQM6Qfz/4iQS/9VUvQERJQ7+pLCu/9biwP+wGw78R1jNA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7de7b8aa8f0be9bdaca080d12d5b2cb2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IrC/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jh9avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/UqHPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "huKOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LbL9PuFFn71EhgW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABA7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "rxOwPheq2r774MI9FmOGvzg6lb03KyU/OVh9vsM4x77raq2/E6lpP6G62b8BYxQ//Y/WP/0Fiz4BPfI+HKnQv1wsk709hkC/7kUSQBq9kr+FiRE/gbo3QCVZsb8qI7s/u044QPSJtL/J9aG+3r8+P1AYIcDMLgc6abXQPybpSj9OMLc/yKAGQF/bbz/cdI6+rE3Rv+nVjj/FUoo9DkW5v8n17r7KrMk/Kf4kwB59676sFY6/QHhgv2E0FEBnyoG+iuu1Pb9JCUB4MD+/wngxvx/AN0B5oSs/vg6+v1J/PEB67Gi/h9JcvrhysL/m3Oi/IigpPq+krT6z2gPA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 757edb72e0dbe4edf6279113e770b406
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ti/Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vEB5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4pJjPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "uhKZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "io4MP5nwK783/QG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "xqrNPokI2b4Dism9I15svz8YQb+95Ea/MiG9v/E7Mj6hD3G/pg3iv2xtwL8biPQ9+Iuqv/8LFsCcEJw+DmQ/v6nNvr9gcQbAsLMwvogMZL9I9TPAh8h7PxXUrL+QN6c86VxyPnp02T7BgJw/xamXP7XLPj8qAje/YWyKv3RjUT+D7ME/wPA4P+Bvc7zF6wZAxH9ZvmnnG8D87vm/W0WCP0wHyD/ymhA/T1fcvxVI27/6zCLA9x6PP0noiD9mrt+/9N3Qv9GAvjySULs/CucXQEYWij9HiRE+/Es4QBy6lz5BSzQ//4hCQK5U6z/vXYG+QcJGP+wQJ0DUfTE/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4103530537de2c8068f48971ee1d1b44
username: gastegger
key_value_pairs: {}
data:
  {"energy": "a0Tvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IGJzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DcWdvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fqlfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WfpIP/Z/qr/KFd4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "KcP/PvskHD37g7w90FUPvz5tgr/c7dc+0V+hvoq0pT/SPYa+ExrRv+fPkT+Cqv4+3iruv9l/q75snC8/ioDPv4A9ir8uZhW/8KsUwC19AUDGAnE/JigGvy0TpD+DDqu/bDaKP7kCZT7sHYE/Q3qTvmdb9b+9enc/xiqtP4CEl74N2Xq/SDcmwCXvL7/G/bI/PPMZQL5imb+oSSq/Hf0CQL8JAMAw64a7adY3PnvdDkCQUzi8f3EGwCfT/L9aIgW/N4ZnQAkcAL9t/Fq9qIVYQLF/Ob1Vr2k/vrkrQF9Z1b+ikc6/5o5+QEgOkj5K/zi/pbCNQCQFnL+JLdg9", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 16fb29852aefe8663986dc3fad017107
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jcbJww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6e91vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xf6SPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "prefvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qmBEv7A9Iz+B7PU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "0oYEP4OfED5uh9++dEkwv1hK372Geuk+VEjPv6JYt72kGQ2+CyEYP21zKb9ddJa/+t22P+qd4T3gviw+thtIv5AuMD/ldps/C2oHv2Svrr+aBYo/QsbdPvdzvT8njZO/ciPzvhLcwz+StOO/HAK5Pg6uE0CNldm+k7rKv0+W17/vqfo/i74hwCoe6L+lfbM/uPLKP2040T+n7/m/BV7dvxxfVb+S5ylAUlahvwW3O8BnXiZAvQrNP3JBNkBjgSrAt8g+P3WZO0CefFbAuHwbv/4BM8DrN1dArOAFwJTvV8BWRj5AMK3KP078bUCeuv6/RIwhQFv5N0Ds3E/A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dfc0d4c0e42db30861b485b41deb2b32
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xkfvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zENmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bQEhPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "41Nwvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5ZvBPx7hdL5pjA6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "umW2PuVbmT5CE3a+eBmIvzSBXz8UNKy+q998P8bmjz8zYiE+J+jxv4zycT99Gwc/cjDSPseEX7/hjxc/gIqjv3Mdqz/xOsy/edbyvR4/kD/SFRvAU2s1P1CeUD3q3Nq/AzStPXBEQr9zUgJAQcveP81Nt79LUWs/96+bPut/dD6jfBxA6nW6PhDtcr+shP6//wAiQHfaKb+DfnM/Aj6bP2Im479SLBVApnXvP8zFx7//DEtAghXjPztmBD7PQfe/Yp4EQDntD8CKuIo++z3YPsfZBECsqCDAAVxxv8WEgr/VtRJA+hZZP60wM8Aq6hlAjSvvvszwVD+MfVrA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 105feb6d66433a166a038fb22aa9dc0e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zJ3Bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hBJmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GlFaPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lrdzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YhVvPaLRzT6Hv2a+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACw7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "qrEdPzdXAb530ag7yPMMv29OOb7L0HQ/BF+CPlcopL54Ere/47/kv/j8Bb8l9MI+AbelvkhanL8adM6/sOsav+9xQT8YlglAFlcqvtlaXj8lAhLAox8CwAazNT7o5G6+I47vPz0ytT0SWNA+C0gIQDb1fT50WLk/6wSQP8zHET426iPA+4XFvoT1OL88ThZArfMYPzu3ib/isShAxHwsQPFT1D2xSZe+d7VnPnjJtz8U6BJA0v8CQA5jKT8hBRXAtxGXP19F+L67YFzANXXKv5uBkz+21hlA98Gbv9/Qpr+fyi5AfyW6vdlQ7T9T0eq/K7F+v9wPPz+XHj7A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c57cc4896d957b8e01290996632b324e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/L/mww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "hjxyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZohjPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "UI+Vvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pHC9vc/aPb9ZF9e+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADA7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "6u6hPsRGHz6T08U9oVGQv6Gg9z455+c+MAgevtfxzD/8VkI++ucFP6ryyr7IKqW/PFLIvVABFj6AfwHAfEvzv0rQgj5i/42+LeafP37hyr6+g5M/fsnGv9GS2j7G8uQ/mJ6GP2w0ET1WmwhAZ4K9v+Nu9b4OvQZAeXLJP+MVhb4Wp8y/iKU/PoXW4r+AvqW/YAfVPvkKGcAqdCLAVNx6vi7SCkD+gDu/+ttsPk8RGUARS6I/4uSnvu5HCECrywBAfk8+vhat97+YvlXAPsy8P+uAFcC6ZjXAQbWTPxL9vb9kp5s/wGYHPoU5XMBqNBzAn3MSQPJBKb4YlGU/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 81291301264eca01871f92646e6c40bb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PEfSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "JhlZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "k1WRPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+OGQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qcHkvidmPbyQFIE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "yFFWPzB+aL6ku8M9fy+yvt0egr8ks+y+cc28v7f3uTx00Zq+iLyIPuzLRj/8uIs/+aeXv0dEFT8Fe4E/ZBIfP3NUHj9fdwdAUF4VP/iz5D/SiUc/kAvhP1a4lj6D21+/j88NQOBANL+xPlU9/i61v7uHRD/PkY+/XA4bQCaj1r80Z8e+pU38v3nV3T8307I/0s47QML0tL6ojEo/xOEPv3E0679D3m4+6aDmv7g+J0D+YD8/2OdZvfvEyb9T9+G/aFFCwFkevj9EJK4/+ZMewD171b4jNKS+dnDdv4yGAUDwKRtA0xaSPjivWb+u3BjAyIpgv46I/7+YjAvA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 23cd73fd4e569af4fb776393c7a436aa
username: gastegger
key_value_pairs: {}
data:
  {"energy": "rUfSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "U5VWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "rDprPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/7GIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "2xY1P/iNL769AOu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Z0hkP/n3KL8N8gY+Bispvg3HvT5H8TO91du5vzYhs75/NdG+Z0Z0Pr6AAMAjGwy+aSuZv8fJ3r9Q1rq8I47hv8ezGcAvvgm/yfWdPob2MDtab6k/4A4oPQuJ4j+WWQ2/gZwUwI3bPz0HTP89cqEWQMrb/74fPEe+HZ1fvewE5j8RSNK/5Kd4P2x8Nz86hdA/EwCHPxCaB0ABdJq+8dcLP/5YMcDJlBY/iMIOP4REFsCttpG/YcJxv9oFK0DIw4O9Hl7Qv/cjUb7zob6/iawjQHtPRL/9QJ6/doEsQEDBBj8wGRC9atJ6vx1BJUAS9mQ/MJs9QACfk794COE+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a3033e513862c55a22b668b55c9f83c1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "M6rcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "YFdzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "R1pqPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+faWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "o6/gvRWMij31LRO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "CrovP9OL371XBXS+LCuZvmoPSr7m066/gmLUvU1wWz4oyYE/dk5LPueEt78MEzy/v0vSv4jNnD5idmG/VcSzuv4aozvq+xjAbXPAvyrY8z6iABc/ywcJQD7zcz5HBMi+qa8eQHOMsbzpMrS/zBgkwOlU3b6Y5Mw9QQtLvzkvxz8fsqc/an3BPY/S0L4mv/A/TawGwJmHiz+kz7y/dE8awFtZv79od4M+FxAIv9TEHEBlvD8/I1oSQHBjqD/El4a+MXxmP1yI7L8Igay/VH9mwMf54L2XWts9slc9QL1cv74YFhk/fLh+v0XE3j93IhdARVoxQK7MqL8hpBg/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c58de5dacfd52c1d2f0ed42f8ed90f34
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ntroww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HEOAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GhiZPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Iommvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "v2UuPngLlL7Jjl2/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "OKYkvOQuUT6mp2E+qumfv5s9Pz6bd44/UsAMP/6zjz/DJfA+xB/mv14ZQr88VHs/MEzxvmimjz7m5I+/MmQXPzPVxz75EwTAsAkDwB37rD99oGU/GjpkPxhjgb8Zw90+F2uTPxJJqT8QyfC/YnhKv5buLT7uextAuZDEP8oeT791w/6/ppWXPgyz9b9s5Y4+EsaePxB9gr9dBLw/FzXzPUeh8D6i8ULA1O35v6Vm1D82JIO9XuwDQPlwe7+lJA+/zlV9P6ex2r+IEhPA+MtBwBvWlz/wAIs/d/AWQDd2K78QzSzAxpsuQMFyFb4JqJ++WzsqQAB38r/FsPK+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b3ac1cc37925708a057c82cfd317cb0c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "CDPUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wR14vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iKCKPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Areevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4LkPvynQJz6PGZi+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEw7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "EOCQPz70sr2OWWi9EzPou9W4rr5PmYm/ffUYP1QUN784nZI/e5JLP8arpD+4xwo/a9AIQB47z77Lpam+1SqzvhK41j5bs48/e48OP5scB0AGrAW+fBKYv++1fT0BU/+9RQTBP8gOyj/3N6g/aIGEv3QyMT9UixtAbod5vfW15L+ig8a/T/Dvv1xMQ7/pCKc9hig0PmtSDj9pkgrANReVvYPEHcBZ5jG/FSTgv3G3aD/JWwa/leJOP2zSAMCJRQvAXjPVv5uDHr7T9C1ABEp3vwIk/L/SGgnAL6vxvsQdsD4bFTbA5wnWv0gByj9wQxZAW/Wavu3FXD8fSU5A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f6aa7702c510609011a93471a44c97c1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RUTSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "XVNwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "xyqFPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YHSZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "A5Uxvo16CL/0iSQ/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFA7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "EfEHP+SnF76yzIa+en8Dv5l75T7HaBc/G7qOvd8Cjj9Pdxy/89yrPuv7pb8XfZi/fJn4v0DtQb1pPBM/Lh7IP1OKZ72xj7c9PLwOwEmo1L6zqtG+FsWgvWfXlj+3C+4/aRgFwHLSWb+7Jqc/XQksv1KXt7+k3si/0CQowOX4Qz9DAFY/i5KAP/iqqj/9TOg/IzKaPy9yH8BolIO/OS+wP/7Qzb+1CgzAch6NvgWRCz+R4i5A6Ow0v6KvHkCqAgVA57cbv+LiQkANqp4/24z5P1YyHsCBvXG+wooLQOamf78UTwPAQNjZv6BiGEAg/g9AGGtQPwKlXsC9bKC/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 19cd6f05e42ed0c729a7ba13072d9c9b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UrW/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HLFWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bsGSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6giQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XvS1vr7BV773zDI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "l4bHPsDsGD5CSOM8VhNJv2kSVz9b/ik/z5dLvokWRr8+7oS/mEL6v/9rGz+5t3y+vbe+v0RHGL4o8LG/KwfMPwGWaz9CT6e+dBjVPwRlxr3YdD4/VLj4v7Ywybyer5A/87UKwP04V7/EfNi/D+HFP9Sm7T97H4w97I8dvy6x5T+7XpM/3aXlvyg7jL9hNJw/KwjZPzEPjj4qN+I/eikjQN+4pb/amf0+9wahvgIi5b9ohCG/IUgrwDyssT9QgO2+agggQCHFzb+WvAy/mKHnPrPeVb8t7PS/W/4PQEDnCMBKBZA/Jf5lQE+lh78Enjk/UhQmwLTuzD6xbPE/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a8e8aef14f36049b4ba469987d3a95e9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hMXmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xLJ5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "B5pPPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "o8yWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pmEoP76fer53LeE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "J5VQP11l0DwdSSO82s2lvrh+dr+GFKo+1WWrv3nTGb/MVx6/GGafv/P8ST/lynG/ENCAPUxLqD+fEa6+if5Vv/ajSb/4LeI/Mhr2vXSS7T+AMhk/+UWnP31joL4p4W6/ZbKWv9ddcD5wUfk/1n85P9nsCUBMI6K/H2PiPwZejT756oA/h8ibvyZpZj/3IwLA+WIYQM0N7r5DFYY/jT9QPdaNGsCt8HQ9gce+PvZcIsCkTXq/EZ5cP4QpL8Cb0zg/8FpDveTBgL8sfR9AQJ3CPww9H0Amala/VeAHwFynqT/r2RC/4TNOv5GcRMB6Cm4+9rvWv2Iyu7/ol/g/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: abd7d28a674c1b26ab9699fd8464b5d1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "EkXvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZAOJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "I9i4PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5pCUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "r3wWv3goqr5HWtY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFw7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ZPRXP5D+Dz7HKfm+vvGOvuLFhr4EKwM/mM97vlhCsz7w9sq/OqiqP0DXiT+ZDlu+CNGqvyVgqD7biO6+V8anvhK+Bb8HOQ/A/NrMP3fVHb+jhDC/bl0jvjwRxT9EZhrABMbTvioC5b9NzCM/LYG/vYg5IED+IUPAoO8jv7NUDsCjOK6+vArTv9syqz9p/0G+ejyjv6PdAMBddaU/iJB8voRQ0j4c9O8/IT4OwACijL4VKyq/H5BDP1UHG8Cuh4s/r40avjbnvz/PUOA/u8uHPzbq9r/t9+4/ebWYvzT9Wj6CtBlARoZcP4SS2b3nWSdAJFFXPyfnfD57jmBA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6ab99912d151f8a1860b5f7156705d2c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fjPUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2uZ2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Ykx6PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0EWDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RRJdvrL0eb9jeiK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "c199Pt87xD7/Yi6+z1dXv8ZegD9SPQ8/HEvLv/dirDwgRaI/RnXQOrh4LT+vQNG/Fuexv5eaor/wTPQ+PjMowFh8tT4s9qg/ceuzPXA2k793U6E9m+unPv4b27+d+FS/XUbIPzpacj85BbU+1mVyP5Afxb8EWZI/4xDSP0j/RD8yd7Y/aXmBv2/f5T5ZFvu//VSav4XQwL2PtBJAVAkbQGZW8T7HqAO+VndWP/cVH8D8OaQ/s6xdP99Alz8CjSDAfOvwPxjbuD8MLg/AI3gVP5FzrT81pWLA0rwBwFI0pL+eKtO+BbnMP65pAUASYSs+uXbLvyxaC8By+YY/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5e013b55d856239449f449bda046e9c4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+prBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wk1mvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9KmDPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "XhGUvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "K01qPofEPb4TRBW/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Ikc0PycpHj3TqeK9kRY9v7PElj4xt68+mb+Hv9Bijr9zu4u+BPO8vtsNnj6PN+A/wYR3P+ioNb2zB68/JzHPvzrKuj/cnN+87zrqv3XFuz/h0Iy/hh2Tv/IUGkDt93w+saPcP3LWcT8rpgA/pa8kwGXDsT+zfgE/NpHEP77qAECLPQ4/sPy8P14ZTr+Lhvk/4TCsPj5Bkb8OFIG/iTQxQKV9LT9LQr4+S5aUv0Rv8L/9pP4+0Xr3v7NCkr9qDm6/ycBrPwXPAsBJ0FW/EziNPnPdVr/+TyDACbeZvucyjD0Phy3AArWjP2gLMr/IvzrAPbxIvh8v1b8BA0PA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 780b92fc4c5686afe08e85de5982d2b6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TcHmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ifBvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BMclPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JbGMvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/mAAvhL3QL+uR0E/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGw7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "NsdePjXLAD76ghA+LUuCv//Daj+lWAA/ecoPPsn8r7/6HqG9IjzOvys8sT60DZ0/mzY0v84C6z8KrIE/H0OLPxeVUT8mnTK/0Ibwv8B+oj+udTe/L41OP/6gUb+rEpY/EgmdPoYKab89jQhA8hENwJ5osD6LuZq/Fz0NQDEPcL+OLJo/eZ6gvwdp5j/5mLi/+X9Ov+XJ87/kxuu8jGEbQDKG17+h4+I/99yBP86h8L+qdoa/AdLwPwuw+b869R6/R6SxP4u7PD6x066/2l1GwFmLB0AKaLW+t0hwwDlKzD8kK7Q+EjkzwG0FRECbm+M9mWtswMf1FkApwp6/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 217cdad2be28c8e9ce51fdba771e99be
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ULgSxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QiGCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8zsNvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "h/Ngvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LsUbwGcPxL7wxHw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHA7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "vzFnPylvor3y8im/hTzEvm3aKz5fehi+Ve2UP4pAvr9zbEa/LYnlP582dD+cX4G//IEUPbI8BsB9iZO+EfoJQBuWAMCW4Jm/ygqCv4Mcmb9LIuE9qE9Xv2piqj+IhhE9SAj3vwizqL+KU/i+PjCpP/I89z/orVO/RoULwHO0vT8I3Bk/aKo5QABRSj9Qgbi/3rukvw1Ypb+0f5U/qAA2vYVRRsAMoaW+gEs3wJlfKz9BVaI+mDwmwHMaGkAOSUA+lFIHwLqayz+9gwZASAA2wAIHXj96hzxA+vljwLFfBj55GSZA4wIxwDEffj/to4BAOJOzv2mWFEBOrR5A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cceac50caaebd36c47415c94d4b5ddd9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pEjSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "IlNuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GRylPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "U3uBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UDZlPQVuXT3LnEa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "KhZwPt0A5bz068q+J4KDvze+ND9Uom6/rS6+v8oDG7+O3ru/AMQLvw8qrL/RVRS/nRKLP+UQWD1gNIq/EhojP5T0eD4mlm4/IVZ9v/1O0L/sQcU+rQUewDq1Tb8316e/3zL0v+tyqz+jRw0+TgzkP2Kfbj+V+o8/q3cZPq50IsDmcpq/WJ0VQBvzjz+nLko+H80HQDp2oz/pkBJAfWYGwFZcJj/A13Y/kZq3v7HoDkBjSg4/7sZUv6istz+GGd2/AK8ZPzqhEMAedwrAvyQPv2d0VsBjVrK/P343wALa0T+Knpe+3OdAQEYI4j/hcRBA2ZtuP4cJO8DuGQu/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c53be5bfff7321454e3b67e5d7b468e6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7kbvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "b/KLvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zxS6vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dto6vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qn16Poo8Yb+t+kw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "vPYwPyZ1j71yg56+XUg5voR0b78HJrI+F7tMvchxjD83r3i/3oM4v8Lj6L7qO8o/JPGwv4OazD5MirI/nPS0P/p2xT4ICMk+jnufv9Wlmz8yzoS/kvjRPWxf7b0etg5A9Ki+v3KQy79vOQ9A+9pWPyJaCEBh4Ma/SZ/GP2dsO0AiWf+/XAYSwIaW9L+Fs8Y/Rt0bv6f6McAA1ydADcC6P2SjXr8HDq+/u6fWvYA8TMCuRt8/8m1BP4jEqr9iAwTAe47+v+qEl7+//0dA9RskPq4fH8B+C1ZAE+8BQCD0079mHl+/fHYJQMonbr5jmva/HuSZvw0PZcAS50RA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 801917a9a4b6293c5bfd0fa8b0250948
username: gastegger
key_value_pairs: {}
data:
  {"energy": "R0jvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "QIZevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "weWxOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bhVkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+rgWP0XYWL9yip4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHw7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "9oGpPszlVb5B3V8+1kVbvz6anb6ZvzC/dUk0vb0+hr5ocNg/QyKyPvc4wr8BvXo/bU6KvyEn8b19dP0/BE7Fv2FMu7+HWeS+XanGP7FVDD/+EpW+D+NLv0bWFcD3NdY+v4ijP7EGAcBz8Zw/aWqav2W+8D6A28S/xe4tP8wSLj4g4xdAQ/zevlriS8D82DW+x+D2P1EIGj1QrZe/hsG9v+byLcCNWZc/ruoVQMea9j49X+8+7fisPwE0+T8U7CG/4oJ+P7NTNEBQwfU+tEUkP9VQAEDAgK2/aBUePdbXJECN6Hg/VyfkP8vqMUA+y54/Q9VuP0dQdkDorfg9", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a6f645224ab1e0738fe23910a42810e2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MUTvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7kBtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jGRPvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "y2c5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UU6MP1LVkL8YJtO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "lgQaP8s+sr1CG0K+8g7MvmiEjT+8tYg9nKl2v8xYTT8wbK2/wlW3v/Oiaz/DXZM/QcROvodUBL+1Vrq/+cD5v2Nugb2qz5M/OFHcv6uF4j9zYfo/Px1RP70Lkb+JiWk/Ur7Tv38gtz/AYQbAHRnIPzILrj5RTPe+uGkaPSdzBkCSKzM+94IXvkS0x7+KxJo/6becPw/5Ir+0peY/yeRev2TYrr/mz6G/n1KpPq41M7+jDBnAfm7ZP5JXD8BTwxI/UZyoP9PVMcBY/Ei+P9RFQOFs8r/BOqU+Qw9RQF2ym78xiQe/4JFgQCRwtb/0nZs/pEVqQFvJM8CxHxA+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a94ca9f9d87088992a0555775bc27f05
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HisFxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZVBtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "wjHLvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "LepTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "priiP6n7eD/LnJY/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "sRObPzLHbT5o3Tg/h0CJPvAHtD+BO4c/Ko2Lv70qXD9Jlo4/g+isPm76DUB/N6g++HV2vwUgHb8oB7I/TrAJPwE86D/8eQJADoAKP/l2dr9GV7Q/459DP7If878fJGU/1sXev3ccYr9Otbs9JLfjv79ZHz/TdEe+zVy9v6KFc78t2BJAf9ibPwgK1rzamTC/psplP0ekhb/YGRxAy6sJQIN7Gj+LkLe/QmoJwFzz7r8Y+Oa+5IebvzqKaD86YYu/NvQxwDTjhz99qXm+pok9QOfThT+Kmla/gTIDQIDoHj88RCzABbU2QGL/iz+6QUbAgkQPQBBIyz5lvIg/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 97319f1f85729de36965fed1cc470953
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8CvUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Art6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "n3KMPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KXqgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nfQ+PTQuDL+9GIq9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "t5AiP9aCND7d7Fc+TzA1v8evIr+k++k9XpMbvg0Srz/fj9++Um8bvxW33T0Fvp2/3RpjPyp6rb5RTJ2/OfbRP8webj6VLKo/tGNov0FX6z/sw0I+uLqHP9jCtb90B6q/JKTrP1imyj61S/q/s56bP827Mz/ENg5AxQjmPkbfBUD9+nu/aDTmvxOEkL6o4Go/jLWov3DkYD1MtAPAARz+Py8lRb99W80/cKEYv+CK3b/fqKU9nfzjP8dVEj5jbjjAzfsgQFgqUT9xkoM/ecLnv8D7bb8L/wpAJnx0v/UfJL8NDDNAma7mvwqSAcCh5wNACNMuwLKRIr+ebStA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 205ce46769ceb70c2aedb1b69bcff725
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Yi3Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BkZ+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lfSQPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KGCjvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lxwXPjVeAr9LPDA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJA7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "PoivPu5hL7zcMyQ98y9kv3AlGT/IDDK/d5V4vvTD5D4rF7E/ffymP2zK4T6KUGS+YXi8v2N4hT/XwiY/+D6+v8wGMb6WAZi/vRIDv5Yi9j+grK8/PCeIPsimNUBL5iY/6CTmPkImwr8aAKG93hVEvrFP8L1U0BNAzn4vv8Iwsz82G7S/0FgCv4LJ/r9D00o++m9kvw2ZE0BMeRRAfg2bP2x8878JMx8/lmdLP6Hc67+7QrS/908hwArygD+9/Gw/CfGPP9hWOkCRgIo/EZpmP1maTsAFT9C/AZtGvS/qb8A/bra/iw7XP3TDa8CZLX+/lESVPwMaWMC5RSvA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a1559110cbab652095e24225808c57c3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Arfcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "F2Fqvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SwaAvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TmBavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "vCKYv7Jo+j5rgpi+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ic+fPzFmID2fd8w+767SPoo+l796YQs/t/8EP7zqlT+D2Zu+4uqGv05pcb+BUlU/HKkjv7Ubu7+v6ei+A2TQv33g6j5QuXY/PukYQJJs3D0mnE4/yNbFv8dG2L8JPro/uKJJv7oyGL/+V9G/ypopvzbmzT9LShY/0ifuPfaVJz92odm/6Zh1vgM8AkAPUMA/lOsav0M2nL8M4iDAQEnCvh0fuT/mdRHAWtrrv6NHnL5/Y9e/EDicP0c3AEDDC9G+8X6EP5xh0j6gpA/A8B2bvw3bGkBEJ8g9UTAiwNNlAT++37E++xBrP6IpA8BzBHU/RFH8v7WgFz8wOP8/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 62d8cd2d95efd21daffb701af70dc34e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "qy/Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "29yAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "++pqPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ojqevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "+BnXvhA7Az8xX969", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJw7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "0uw/P2OnpL5Q3ZO9yl6kvnNZyb4fupW/s8CQvzmQOz/8RNm+CMabPcjIcz/l1go/X9mdvCntfD5V3/Q/AZP/vwYFoT5nn9A9uZjJPpoSjL+JZZ4/Pm5Wvx/8rb+Cw6K/EcwGPzAG+T95sgE//MB4v45rjz4m0RxANaPkvmEC5L+JYYw/m/p9PnTNXTst3xnAm0TIv3L39j++1qC/CznlP8Zgwr4MTMq+lvqyP7iW7r8V6Ow/X6EKQFNkpr/cNP8/ZlrovsEBaT0i7kPAQFZFP9zpFD9NBiZA91A5vwRCFUCI8em/49wWwB6/1D+Thvu/+Tj6vy1oLkCOPR2/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f0d9f92831b5b9cb97b6bb43d6f4d461
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uhXKww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KSJjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dM86PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "A+uIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xRvpvkQ0Oj7/ldU9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "DHVcP2wxHL67IU++Me8Jv12qI7+7/Cu/8GgbP5xQTz+CSF4/EHpqv00MxTzz5rq//dq2v0ci3r5wxhw/8gqqP7Ydoj/60I6+JZUJvwDW/78zp5e/k8YwP/P3DUBRipa/1NpQv+i8TT9n0aM/CFoJv9yLSMBxksq/dVOyPnkhOD9f6xNAFmzVP9T2YL+ukkG+mQ4NP9G5X75inTRApDvQvuA+CUBPtZq/EsEIv/dEhMD2ufi/IcuKP0DsBEDE6gvAfIKsv1Yiqb8Yyp8/R+VyP760TkAvl1m/zw7wPm/8zD+9xDtAUIuzv+yq2z/Yl6g/SRUfwN9Unr5I4bk+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: dbe37f1c15701743386bc0645784835d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Kkjvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HR99vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ZM4zvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "hCtQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ppvYP9v5Xj82dtm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "l7yCP3YWXb4zfp0+zDaNvg9jiL9k0m4+vPafPvNzVz92AiS/8zJZv279dL3z0Cm/2RisP9tpqz6M89Y/AMNNv3XolL8xmZc//+9RP/EPZz/ZQ86/JQsrvlIrA8AL6my+hQEGPd6QD0BI8Oi9LC0RQNaqWb8OHJy+FPEDQJtZmb8IBKm/vc4vP0QYHz72FCtApZjpvq5+DUDX8lw/s50mQEnZ2r99bZE+5fvrvzHQVb555si/wgFGQD4lB75+0rW+E9h1P+JWNEAOHdG8SpsRQE9Ycj/3rds/nOr0v9B+KD8QjBDAb3olwAWmlb8D68+/dM0fv1TlMUCr2U2/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d829b4acdd29efbaafd1a79945e51994
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SEHSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZRptvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1m6bPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6Gidvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "jLlLvmyy9r52poC/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALA7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "0lEJP+B5Bz6cyeE951grvyOziD/1ivE9QElcPxzYK70iTG6/KvHDv+MMET8FCLi+AoFzv5V3oz/1yZM/IEmrvjz4FEDD6gi/yXUYvzviGUBnHfy/I5dbPhzdjb+1Ak4/72WDv2X2wz9tQR3AwxmvP6gpHT+sJyI/V4m6v2BySEAn7H+/o4kTPqvlO0A44iPAyZodwDWyL0AuUFe/HEajvoI5DsDswhg8EjTYvmajBcBUnYi/fcGtv9+QhkClJl6/PJOHPys1D8DTkBQ/a4rxPyYCB8Bqofq9unWNv1ABM8B+gvo+Fs2wPwyuPcB+ntw/hHLIP7K/d8CHs7o/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ca1187c7306db2e51fe6bd72379717e0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "tOgAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "06Juvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4GjHvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "t7VVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "cqdkP2Jn2r4XK0q/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ATGrPnzjC76wrGe+ILjwvnDKpL/eEaO+2kUvPRO3HsDtBIY+xEMDv/95lD+Gn82+eUv/v62Haz+lokS+VgmwPoR/FMClBqc//KYpPwb91T6NOZg/31xHPho14T+CWj0/+NhmP2aHN8DxrZW+UwrIvsnn1z++Ia6/L8RFv9UjTcCSA3M+Vc++PF8xMb0Vofk/ppUlwNJ0pD9UW0s/w8wgwDypzz4hY4O/p83mvuQQDUDjmrE/p2naP/Bwwz52DcE/c1jEPws4G77CQJW/6LKXPyuB5L5etArAeFf4P6skXj8ml5y/V2cgQFKWh7+u6Cm/UJRRQHjvhL9V556/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 10e6ea39db3f66f9867b89858e29eb74
username: gastegger
key_value_pairs: {}
data:
  {"energy": "R6nBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CRhtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pHEovA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "75Bivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DeBVP22t/75CCTM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "P/6jP2ukdL5Zsc29RcOWPleWkb+XBTM/lqh8v3LgiL/zER++h9Ryv4rywT789i2/TvuqPrRcfD/XDem9gNHivzM6aj+XTbC/gSbfP3ucP79mY7u/gjB5v0d14b/NUoC/t4gKQLDrurzZ9gI/fqlqPYnulj+f67M/Pnj0vwYMob9cncw+9B8oP5Eq8T81riO/9ZKIPVP4j76rfvs/HPckP8KwCcAH9GY/6Chdv/AxCr9FgB5A1l9pP43Sa7/qygnAOXZiv9y52T9zjcs/gGpaP8wr5D/8sOw/SNASQA0y2L/Vjq6/XjVhP3Di1743pitAC1AaQJiDw7zoQvi/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8f5aa3d296fc2176888e8e0c13d315a7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yrW/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "nbxovg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4NqJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "BtWWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DhVjvos3Mr3eHy++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALw7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "MCWDP11Hpb3hYjY+mw4pPOVJk79+F2W++d6Uv0N2wr4hb2O/Ih6Mv3bBfj9MSnC+kLtnPqKxlT+EAtM+P9J6v0MgbT9Aqp4/QWrQv90h6j/CKC6/6ocSQK++8T0uiQ2/L+sTQGAnyb57i1U/B2pvv36VdL72BPq//vobQLYrJr/OLpq/D/Okv6NY5z8CL9I/Wxo9Py7uB0Dr0us+MwshwBmwib+APUC/53ojQL08uL/HNoA/Zh0vQOCWkz7Sd8g/IYQywJ5Glb8B7Zs+zaIfwKUgBcCPu5e/IHG0vtPA1L/hFCw/faJTwPt3A7+OG6G/3WvkPnUF9L/KTWK/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 38c12668dd9c69d262faf4081d4faac6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pD/vww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8btpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iKBqPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CjKSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YAKTPzS6ez/4Nn29", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "RHsWPw7SujxxDvW9XBzyvudVlz5dape/5g2cPZQGmL8a/ik/c/bdv+xuer5qZAm/o36yv7pAl7/7CA4/n0YMv8ENrz+zsbW/S0D/v2lm9T3k3GA/v/ivvzIfYT/Akqw/uaClP/BBlD9/ABA/1oRAwCRVgz2chqE/xb8iwBUaB7+46Jm/bc4DQHVzgz7kd76+J9ndPgxPB8DgYFA+a74YQH/7Jz8a/am/exHIPiTglb9K0to/DNAvQK/O575IKJ89e76Lvh1Y7L6VyBfA2M6IPzGFCkD8M1Q+mXcePz+uk751LyzAGqG8P/P2hj/04fg/ooIVQKV4tT9p7wpA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3e0f7600e36f4680e330249797b38734
username: gastegger
key_value_pairs: {}
data:
  {"energy": "/KbBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "sWtrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Sn7EvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "6NtSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Z371vZfKc7/UZTE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "e1AvP3+qEL4kenW7CinRvtk3iL8ETQq/awAvvA4DLD9Eto4/3TPNv3cfKb9A29C9b3XDv7gODD8QKUs/6mCjPpFu3z0vACBAMtVoO4neb7+KXSVA4Fb0v3FfuD/HApE+ZE+eP6gMNj/VYpG/x0mfPu5m2z9Vmoc/ySDfvUmsDsA3Ire//Y8iwDk9kr9yt7m+MKzEP+spO78Qab4+wxoIwGWH3T6xJ9o/vGeyP6I/Hj5QBS1Ap7K+Psiq9b+HZRfAc2QUP16NO8DJiXG/0mGXP8QL9T+ClZi/05eCvy96McD0Wti/UvREvlzwLD+uMFJAegvbP+XLBT5Jx/q/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bc8a4569f9527bd65b908f8fd52c6b51
username: gastegger
key_value_pairs: {}
data:
  {"energy": "osHmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7Id4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "j3BaPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CJKXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ybAaP8SZ3z6zBzo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMw7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "s/aePpTbBj6U2/k9eKJ4vzxpLb/F5oY9kX3Uv8tmfr7w7U0/JOGSPlSvzT84mvo+evvRv02fDb9GEai/PUFiP2ADFj+8pLc/jd+zPtwptT62uBZAsyOfP+5/iL6IdFi/vuE2v0SkCcAW784+PFgnv7fNBEAEYkE/opj6v1w8SD/yFNa/GBx9P5BJD0B1lD297EWlvvaZEMDos7U/OMCQv1funT9WHO+/rfURQIZT7j4YxcI/cAIHQAz/eb4/tdO+7/B/v/Fkg78dfATAeM4pQE/Ppz+2QeU/YsAlwD1/jL8Fdaa/tViJPOEnJcDOIZK+dm3Rv3UiL8AWR6w+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6ee2fca4db4eabaf755b6c0ade9c6c12
username: gastegger
key_value_pairs: {}
data:
  {"energy": "c7Hcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CKthvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "+82EPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "AwmSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MA0jvjVGUz8dIBg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "qeegP1yRRL5xSxu+AtnpPrDzrr+EMcI+t46Avy9Yq78l1cc+QkEgP0CHcj/03my/BlWCPwXiq76jWKo/pvBfP4A7F8BUH5g+1qIQQAmr177rU/6+nxGzv6dBLb7WjJw/OpUwvjTV1T74cPU/JgDHvTCtwD+EZuc/6yrNv7qFGr7hIIG+nKVVv6sCJj8w9aO/VH3uP808DL9E+fw/uvwRwK38oL744Os/aHt4vt9QXD4dXT9A6BYtP9CM7j/IPKK+g+q0P79UkD/NdQbAIxYowMwMsb7+RxK/DB9SvxCRgj0AbA3AYPavv1f6yT+Et7+/1fOFP73x7j9CPCbA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 81477b0044492db4b6ed7cc5719bc67b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5ukAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "CRVsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5wBBvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "z9Q7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ECNkvqAyzr+Dbq+9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANw7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "4GyKP99DPj2F8IK9Xp8jPtZg5T77aKG/dY57PsBenr/yIhY+unpXvzvHMr94amO/4WQRvvGfr7/yMZU/i4yhvsgG4T9ECq6/yRFxP1caGMD+p5W+s6YkPwjrXj5SpQ3A8V3PPjQmSsDGNAC+uSKOPxQEgj8f448/SA13v/Zg8T+7MCe/aPMGwC/slb5qUVy+5nCGv6q8tr9Kb9a/BvwRwPrPRD/OfLQ+M+c6wPSrhr/61F6+k2i9PbK5mz+2k7w/yOMGQCKFQ76wSbm+ZLPAP+fB/D9mQkY/Cm7zP2SOEz80kxFA1FY2QHpjtD4ruP0/WYvCP5Tqj76NdCpA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8b580f173c01068aacd1a34faa97367d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "P0Tvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZqJ4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0PFRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8iVEvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "whK3v8I0jL5HWsq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "mmW8PuiyTL0js9e+XXNwvw+/PL+97Hm/fFyWv3Zgp7+ZGL4+IWhSvjfuz77AyIA/YjMIwP6rob8iETg/pZowP0ZQsj+Ro0O/i+PFP78vd78mlTO/qugCP8pXZ79vCNY/9JMBwDVEOD53+MK/H3FBv5AKSj9aeuE/XM6wP+5mAcA7LMm+j+gRwIcOfD9U71O/0da0vae6vz9kEB5Aq8MkQIvMHb9XfJy/rrTbv1uPIT+lJh7A2+82vqnwAkCtPim/ssI7wM/pzL5ZUtu/DKjsvz5weD/VWs8/4S09v9Jlwr9cP9y/2kGIP6hfuz/D2eS/v6K8P9Bu4j9PstC9", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a8b86563ca96cb691e9d97a3a527de89
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LSPKww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Amdpvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jnfHvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EHhQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Q5B7v1FOtL0LmAA+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "mNQgPy6ajj4uac08LSfivpbF1L53LUO/iTLGv4RmMz8QHju/CJqfv7yqh7+xKNk+AAe/v7kG3j6Gyk0/MLKIvZD+cz/6ZZc/srPoP+eJED70QN++r+i1Pm1sgr+TMe2/KcTRP4pwK785z82/aKbXu7CIz799FivAlFmjvym42D84uYy/K/oewGnRuz6EmZe/TQ4hQPtybr9q6wvA5iMUwB0jOT/qmro/drMzvyps2r8hsY4/8P0JwIJNx7+MT6M9s5XuvMnKAkCdMog/c4LlPnsbFz9B4SRAeCTNPmUO+b4fjzBAoc6+P2gJZj/kBixAfLMPvlq9iz/EalZA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8f3a14822074f290573c45f5cefc2bc9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OKekww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+giEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6QwMuw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4PCCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wmmRvrgjjL646Q8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOw7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Xl0AP4afgT78XCU/mkhGvyxayr3EXb0/zFaRvp5puj9S+u08I0RkP6gGUb+Bdcy+H0DNv0V2Yj80phw/DDNXO/MNGkCBnPg+J1Muv1zzbj6YFCFAbXZhviNdpb+xFqW/I6p9v6aR9L/+6U6/XEiCvqXffb8knyHAfj1sviPnxz8fR4e/WEeKv5e7sr+FQT7A/CqmP52x178TOQ0+1ffdP+wsHz9LlLs/Izq/P4OPsT/jbg1AWV+Lv3q6kr9r8r4/dZ3XPzjJ1b6vJIW/OGwNwNRywT51FRK+NXYIQFWcf76AvP8/JNoPwLnPyj8T95I/oBAiQI/tgT+zflM/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7874522484d1e3ae5637892725395395
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ykHvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "RS1tvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dM+6vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "VtNVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "e0kLv6RwBT/Meum/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APA7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "uPJMP1Guxz2KcCC+m3XhvjgPAT/J4kk/GdAxvgagED5LSq6/oIKovwEJ5j6jTO2+03uTvz0PbL+UQIO/19MIPhUwAz96zTHAYHycvpL+wT+LlZY/PJrlv/b2gr+rpee/pjIrP3uAuz/8KDXAg84NwA2Fgj9AjCm/HIFCPxnJf74aQFDAT21Gv2Pl1L691fY/XNKwP00zlL8pZ449fIbzP/RkkT8GKiC+atVIv11oHD+NblfAuuPAP3aaCEBv5be+PMgxP4Ja578nZQ++x3YZQEYFkz8qUVE//IApQFt1Yz9yxWq/GAKXvyXxs7/q2NA/iEQfv9XmAL4V2EVA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 22e1f5d5433df6b8a0b26707b1803de8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TCzUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fqqCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "niOSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZjOnvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "u9XjPsu+S745KGG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQ7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "FiRYPzU41L6hQqk+blagvgbNDT8CP5W8budhvj5Nxr9tPAo/Q6Acv1tQSb9K8ES/klKPv2pFzr9szeE/2MljP5dBWr8ddZW/lnC7v/g+fr9xrrS/+RilP9nd7L//Qa+/GljyP0jxXr1YqJQ/9xAgQMliTL8w8J0/H4mgPzgYB77p9/K/4mZ+vxW7RD9Sm04/aOmPvd5i7T/ObEG/HKUVP0XF3T8rUtC/QcrcPnWLI0D084+9zYusv69YFkBFFZO/YG7Ov03KKr9iBgBA03YJv0IW9L/WKClAemfzv25WF8BiuM8/5/Wcv4ebTUBa+ca/akM/PuwAI8B5i6s+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a50a1f74b727117a1a12ed8aca755a5e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "fDPUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wTh4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "nPlVPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "lNuWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "r5RlPo16iLw6zB8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APg7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "a0hGPwLRaL6JJJe8wgl0vhHyrb9xRgQ+3NQuvQ8+fT9aGdW+nPi3vxy5Yb/zzAO/xKy+v+IZCT8rOuK+7fNaP1rHsj4bR7a/I1kAwKwUYz94PfA+YR/RPqG7Sb4Q7A/AoE92Pf30D8CXXeC+naL8P/YKAL4r+mM/938DwIuDZD/Ugqe/R+7YP1BuUL4wDfk/sZKDPqVsEkACbWW8ijgHv3+R4b8Qeck/hvUdQHcJVz8ZGUA/rzctQFVuab/ulC4/+W3hPwD8ZD825dS/CN7svKCLGUDBi2Y/471Mvw9rZb+m7AtAd2Guv2PrHcBH6Ms/MtStPsO1D8C2EgJA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3945d4fd025ffa937a4a845205eb399e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kKPBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "omFRvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "pRMJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "i6Zzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "X0axPUzD4D65GQ4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APw7Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "pO+CP+17o760FbO9BM6kPp2Xtr9X5C6/sB/KPT+9Pj8EOgA/Sxeev0QnZD+Ytku+5+M9v2afj79H1r2/QXeTv26/pT5F4Zs/YumtvxscPL89F6o/OgRPP+UqAEBzwnU/yirAv76AHb3VwKi/cchpv0fC8L++QQ/A0qAVwIzGDD6Hz/2/JOC2P2wNG0A/zyM+TcnMP8+uLT6YnmO/YVy6P4wx6D8uSOk/4AfRv5zI8j/Xvpa+zkj9P0dIcL/ZQ2w/liOsPYkPMUCeoaA/M7i/vzkhcT/UiQJA4P+1PzXJsb9a4N8/bSUqQC+APr4PHKo/RtkkQHfT278Nq+I+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ddc38d3fefb70b220f4bee5c3b6c008e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3hwGxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xLV6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3XrNvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "aAZhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mfDbPtRgWr44Z+C/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "wshrPoEhc77cdSG+m3OSv/qdXj7/iM0+PMhyvV766z4QfLy/+0C2v/JgZT9qRnO/7Q6nvwFgzL2HyQXA1NWDv7sQcT+owZo/aCBeP9AJnD85iArAcY4CwF4qQL9FpWA/8kD4v9456z9+e4u/300QwNcYrb9WMyA+HeaZP6JhMz/U2TnAw/XIv/0Xk79O2Py/vvZ4P7Ecvr93cPo9DU/JP80+F758FA0/83QWP0VXBsASUm4/wyi8P6/eAMDJNC+/cHrHvyz4oT7H3UPAPnjPPycUSj79vf4/5SsYQAA9gT6RD2295V9XP28tW76pfzRAtCUcQA3IZD+onxFA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 74124cf716527b1d66fae1dfd8ae6823
username: gastegger
key_value_pairs: {}
data:
  {"energy": "aesAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Z351vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "H77MPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FYuHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "++g8v/ZAK73d0kq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAg8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "T8drPzDRMr7XVta+ZY7mvHU/nb9BZB6/q3IJP9zyjT9AYZY+xz9DP1WgjD8455i//0hVvzhIrD9hh1w/m84Hvuv8lT9CMei/cyz5P1xU/L6rKIC+eh3LvxELUD9kOYc+Vp1hv0tlcT+FvfA/0epNvpyPw79XU8i/3vv1P+aS0j8ze9+/kEusP9ztxD/Wh2A/AEb4vsIYAcCNzs8+DrjwPyF1JkC3/NC/e2+Iv/UuMEBzEFc/HC3vv0l+O0Bhfas/nTFlviGU5b9Pg8k/u7itv6YPTMBSY428tvbKv0ZBTcAV84q/bJgSwJymScAIVgw/MIdZvwDHg8DeUYE+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2c9e76ab3918a352cebdc47db10cebdb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RKSkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gCddvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eHuQPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nrKSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "H/TsvQzl5L4fLjm9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "d8o9PGnQwz77b4I+yJuev7rJ6z4O4Zc/2iH8v7a1kj8ZqyU8PmUpv/1mrz9ilya/jhYOPobPfL9W/si+fUQgvyDRjz9qSNG/WDinPwNwbT8tZFg/+AHSv+LB+77Lo8Q/fV0pwCtA7z5rkQa/FlVTv+QzsL9Qvja/sjGLv8JNjz/hxwJA1m6PP/7iAsDCbDg9OhqlP2pSr7+yfaW/ytyQP+Nr+D9pO5s/8bTqPyQQ5r90hFI/mDchwN9CBEAI8m0+29hIP5fXRMD5LIo9SV/UPwAqoD4H79Y/+l8HQKQCLb+YoLO/nKEGQBvRez/mzsc98LyIP13F979SNAzA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 63a60ab2f0fa0d5aafe68c580a432199
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4EzSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7Zllvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "U8wBPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gQaDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RwO4Pps4+T1kBmo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Z6YeP18Inj7UgKC+HMXdvka4rD/FRjS/3jq9vfVegb8ze0A8tdMcvwpdrr8uZGG/fe6TPzXfIz+foBU/YWqUv67ZmT9KAta/VIRxv3t2fr+nuac/loVJPwyzA8CEOD8/WFGgv4pTlrzO5tk/ZZ8Bv0rJHEBNZ8s9sMuSPSe0I0BC3Gk/wjCZv4jQSUActd690gPwPwln+L+AODA/QYXOPwuTEz6/ery/IotFPmbVzr948wFAUHsIP1aGRcCTHOk+oreJP2bF3L139RjAEDVNvd/LFsAlfStArgcLQOSniD9RLNO/ldLqv/Kv0L9+tJw/+XkVQAoFJr9NKaG/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 969a41a96b4b5b4b140486ea4122962e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eEfvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zCRKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2gICvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FqQpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sySwvoxnMD9Oeos/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQ8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "W0XvPks3373fKOs98Uoyvx5Agb+PyQo/SQ6UP57n5b26wns/UkbevyoWGr5SRKA/ramUv/8WpD9uhp0/DJ5Cvoisoz9SmyM9rcL8v30bC7+fmA9AQQwqwG9eN74iOig/LGhGv/LuC8Drm5Q+RC4IwGgDE0CGk4Q/mMUYv2iHuz+mEApAeIRDv5Zqrj/1nWO/D2EqwD7mF0BDk+o/wECMP5HKHb82x4m/upoEPwPpBkB7NqQ9g4JqP2xqzb+0ypq/DLMWQB4rM75QULq/Xw0lQIaZVT9gH4+/WDpPQMd3Vr/9SQ3AgSlDQJX/6787UiTAu2yFQAZTvr5N0x/A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 150e53e25b49901143248c7994549166
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QkfSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KVpJvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cy0aPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "huVvvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LNQ6vn9Npr6XOZG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "THRnP96/Az6RIQq+U3gdPlefJT98B5I/bpskvwyJMb+b+Yo/ehLbPmrXnb8baVY+iMXLv4WJCL+b1A0/zoDtPvk9PD9Vjbe/uoQQPoI16b/pjhC/xV//P/uHbj4FhCm9lSRmv0T2ur/WlxdAeHCYPPuKyr8OyDxALfffvs4RYz5LwRHANvbQvxBucL/sdD9ANAHcvpOUxz/AAYI/wTJpvz2uO7/m+gPA+Ctvv078Uz+UmlvAUjRsP//s2D/hMta/dDKWv51YQT5sn4XAi0Glv61cHcByeAlAxlfAvjJDzD8J1HHAa092P8maVz/TqRFAhvHFP3JwpD3FCBdA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7b8ad7568659e66033abd01f3bf2a6c9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1C/Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "46Z2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "JQaBPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "+5Sbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CTj0Po4GwL63nGu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Kh9QP0Uxzrx2mka9qgoHv6R4dT5BFik/ONeTv1XbHT8SKi2/ekRdPneixD6z9bK/s4U4Ppi73r6+iQfA18EnP2XHoj8l1O6/Oubxv6p2Db7UsHy/Pnrcvwa89D9dgTG/9kYrP+FDjz9JNmo/5C+ev6bvBb/KEt8/luowPxBECUAHvQ4/s0HjP0ook79u7xg+LZPev8E6tL+vd6s/flb4P9XNp7/a+5w/M4iQP8F1eT/NqvE/dbGeP7pKFMAl7e++DrAEwGEaBUAufMm/GOn2PygpP8DLPgC/gbAJv1kSXL/n+yBAAOX+vwXz0D352A5A+R8wQO9wY7/SqZS+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: de6fe52761250e6da3459ae48727deb6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "wZzBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5st7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SWOUPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "xf6ivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YtsiPFBwcb42q86+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQ8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "AoONP1J3AT/EUC2+huPJvb8U3r4Uhqa9UtJVv6hL/j5w82Q/o1+/PsRUvD8ZuFY/j6Uxv8Vepr/o85S/tN5PvZ+z9b9hAF4995OVPutXI0Cyioq+u/BNP8qe4j8sveU/dv9qP8bAGcAUiae9Q1bkv/v+aT8n5wo/Neo5vlZosL+AiQfACRlavwGiHsDsHYc/WYbjv7Fxq78NMJy/clGAv0xsEz0Kbu8/h5YFQOHbgj1b+G48Puqgv4nvUcDRgzU/kEuBP2U0zD8roaK/4NvgPsNfpz/QFQrAAtj9P6jC+z9S0sy/aKs4v6QdN0C3xQq/R61eP67yXEDMkkO9", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3d928e7c09aa4d1774a6ceff7d3a3ee7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DBKvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kGp4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "d/aVPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5rKhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "30+NvE+vlDxzhXc9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACg8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "JLykP5X5aT6ESIc9cUZePlzYCL7HOpM/t2mnvqJoqD/GIoo/gkY2v2Cgib8KMqw+1Bz9Prbhwj8zJkC+EZ2KPh/q9L8ucAC/VRqqP0EbZL9eRH6/wuwQQK1z7T4FiPw+IAaBv5XDoz+VBYG+zkVivkIIHcBueai/c22JP4w4AL+R4P2/fDzHv55J3r1Z8gu/gVitv9Gn2b9lXHY/ny4RP2NSB781owZAuinAvy/xvr5g1s2/HivLv5dZCUD4EQ6/aG0UQHJjrL9UD4q/QEBpPzNyHEA3MBS/0vEKv4Gk/j+M5fI/rSBAP5KTKsAkxwo+jFUnwDxGF74PQIi+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 144766dcc7af76c932e90a7be4a999c7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mrASxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "EqN3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "KSEYvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "yJpRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "BFZev9+JOb/EfKm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "z2ROP0MGyL7/sRc+qcLpvrhInb/mbo8+xDWzv/vMSL9ejle/9vRyvyQqW78oCck/3hguPkp8Jb9UcxtAeCAJP2HfOz9kfk6/VteDvtTpE8BNB4I+KoCrP5jiVr5eJsQ/0oYaQOFZRj55OfI/Ml9fv92vEz+kHKi//O+nvxKZij/5KybATt7FP7LAlb5rL4y/MIcbwNMWOr9KUfe+0YHVv2Zf5D+d2ai/aKlrP1gs3j+ywiW/mvqaP6EVe78cReK/eUYpwGaXxD8MlpS/qVyxvwelv7+U4NW/NbSivXvJ7j2+20pAaoXnPm21yL9+kT1AUoYTvzbY1D/IIUDA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f4c0df3566e70e21db16d3fa9923d7b7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "vsbaww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UBtVvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "b/FwvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "OQxGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EyenvlXB2L6pMLY6", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Eo5oP6ylaDysG0a+fRnfPDmvTD+moUI/+C6MPqsQTL+zkZ2/Qd1HP5H4wD/ZorS+d4iXv+35R7+5nqK/Vqbhvucq/r+t9UW/KCMOQLdOFb8zQII+4yD3v3QFNT3FupC+ZnFEPvGL8D/lkZe/KC7Pv1TNUb/hIBHAOTC1vyLyQD+pGCM/D5UEQGwayr+HkC8/ZbQBP0MIgz/AJQZAsk9BwHdB+DxoMru+WjM3Po30jz7wUS1AjCXQPybTB0DaBIa9tQf7vhduC8Bvb5c+WNSxvm57N8BSWLO/ukgsQIJTOT0jOYE/JyjIPQcU8T/oGR1AchE5QL0IML/wmxq/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ed89fe7fb1d43d4e3d07c44980a81f94
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z0nSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8Bdjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SBiGPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ChKTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CynPvjGUsz6E9Q+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADg8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "yqtaP6nlAr/4w80+TPf0viZ6UL8SGaC+s0sTP6XG3T4tF70/lYRHP5TjwD+NlwE/LDrXPwFCED8Q0aK+/WUQvxf14T9VwDG+0iivvy4zsL8MsDY/qgd9v3hUAT9KCHe/rzVfvopS5L9L3K+/5TWlv3ydAEAbuxs/EWXTP++gGj+8EbS/KIuvv90uQ78uLsM/PaEUwFq3tb8Q6Lo+taUtQIyxFD8Szwk9FcMSv9k3ED9R1Py/5K+qP/2Dtr92bUI/bO0EwLfX6z6g0Im/fJUBv/pmKECFlVe/BLkfvlM8LcCXjXO/0mGbP1VuGUByo3c/6oaAv/0O6b8vHQHA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 28ab12442d05bbc5ad6aa1cf039f2fb0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yM3aww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VFJnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4EvhvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "2ChLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lE35vfvobL8bZLI/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "nFZjPqfPwL1SYDG9e0N9vwr3ET5Upww/Uo6yPoP1Iz9YnZa/KBDMv6mhhz/z5JC+/6g9v4RGqj//hKi/Quo7wB9+2j+o30G+ADhXwBZJzT9brk8/sTBpwEBloj/huWa/JNO3vwLbAb95NOg/8BefP2bgdL9uMsw+eH7Bv3I3zL+mNts/zDxBv5SYmL6pVSlA4DR9P+YJvr9tuac/RDgaQPJ+kL8odmC+r18mQJWeEb/VgpC/R1peQIihA8BzEow+blNLQMhCJMCD1Jg/kQqNQMUgwr8GSfE+pxs3wFhzMUDK4Na+7G1tQCuFNMCrBfS+4BAbwPQBCr4b+wVA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8398ad8f3528b26b9979aa0c0825a4c1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "TZ/Bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "qdlzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Lc+jPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "oOCivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "UFO7Pr1v/D1+V+S+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "WbGEP61tVr6gmcM+Z76RvqwaN78haYS+i/gnP7TVoz+R6FQ+87jyP52i6b6w14C+Vjijv/zmSr7iiTI/121vv+qgiT8kkhc+W3ClP8ixML/IJec/FnEZv49u/j6zRJ6/BATxvmQ1CsBAAB+/L3jOvy+v8j8NC8E+saEgP1U/tT/f+6q/Lq+yvrMDM8CiAIU+WnLBPzRUiz8VAPK/tq6qv/Ynqz6+mAHABl+KPsqAHcBaDq+/Y/67v5BCFcCuDYS/UZeRP84hAUCXSlk/+IOrPtWDGkCPO9a/vmTdPh0E+74HoxxAwiK/P0Ib4r/uPuo/16gKQPslPr66rQ5A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: db25bf4f310436e051373120a46f338e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7Auvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "4pJzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "luqCPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GviBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uaWVPePf5z1xjyU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQ8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "KcqGPyACID41lce9xh97veqIN79FsgU/tyLevqQNBD/k87c/SLVBPwItqT8KRVw/mVYAPyUJEkBWAs0+KSS0v90zFr+EKCC+tDnHP9vevj8/N8s/cqrivyopKD+sFiY/+iW3P9iwaD7V1MW/2tZ1PjJS2b8uhWU/VOsZQGlBp74bpgi/XojwvxTtyj8xCqA9DMIqwJpsCD9OlqE/jU4Ev42w4T4nVyFA/ZcDwM/xqb+BmIW/MTtDwOZUiL8MCrK/FMFxP6JK7L5Hnw7ACXDPv8IRD8A4irm/gTnRPyE+mj8OMPy/abAlQOS5sr9Zywe/p0RRQLJAjD4orIm+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4c25ce282abee258852b1ce0b27a46d5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jcD3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kJ5ivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "BaT9vA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "D+pCvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3QeMv2EyfT/zyCc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEg8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "p6PpPg8F8r6jELW9iSYpv/5wG7+3+m8/89Xqv9g9JD7Hn8s+evC5v9WmPj8RfWm/0SELPx7N7j2OwKA/OB9fvP2Nxz6RwKC/rCIWwGYQ3r4wWlq/7QGyP0MXzr8xCaS+ruLeP1yH/r+WoLS/wLtTwD5NC76+536/NJXuv4PI2D8ek56/T5ZTv7wYxL9FCL4/eo0YP7Y2vz/SYsE/bwl+PU0fP76SigvAf3TfPxThBcBdsB0/rRQZPw0lpT/HAK6/LKoSvgzV6T99EA9AIIYhwE7kJj886Yk/5g/BP9W7FUDLzoM/05kRQKyTAUBjz6k+nTjCPzjeV0BryKw/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2078302696607b563b575b61d2842c2f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "habcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fUBgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tAWEPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "rCGRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GqgMPrGKDz+vJeS8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "G6ExP0QTsz6Kfzi/ysEuv+ecKT8YCDu+IayTPy8vlz+3SKC/XwmHP9WmfL+vtKq/RYXdv3BeMj7WyH6/c2q2v9UeTD7QKfS/GRzeP1ohB78Skmm9+F3lPlmyCMBUrye/x7eKP2zx3L+ZsyI/ihYwQEPJPr7U0b89aJ/LPvtgwL8qibo/MF4Rvx31BcA68iS/xXHnP5N8HsDHQ3c/GTmAvzRB+z/IdAA/DcO4P8rNib/Y8xXAVOHmv4VrKUAdYos+MTpYvhN25D/PD+E/W7OIv2YeKj8WTaE/AOdfP3KD2j/sZtw/Ke71vy++Pj4WoNs/M2UVvw/FE0AGnChA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 62d8d39a5799515e5d604e255fca18fb
username: gastegger
key_value_pairs: {}
data:
  {"energy": "lT/vww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5Ndvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4dNcPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "boaTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ctwxvwStQDvpSN6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "6zFuPx4kDD61Mvc9al6UvgWfEL/dr0c/uPqzv5vjCr9tZZC+SBMBwNjbuj4WGh2+77iPvgSREz8+1OQ/cc49vm4Uyr/yZZY/iewIP1r88j66lam/2/0lv8QW7r68Gc+/i09WP+RnqD/ynoc/dwSGP93TPz/D3BlAntrzP0Vdt756wg0+ivPaP6fw172gPSFAxbyUv2kfjD9b9AlAutMNwJFD2b8KSwG+u1GCvrTiur+ohu2/0kGTP+MbwT8+EUtAtmNVPgoRwz9op6y/fJY7wMUb1L8s9ES/OwzUP3kpkT6BHwvARNKiv1fiCb6mIh3A9NC3PyxIHT/eMUPA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 73112f4a607f402515bd3eddac98c897
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2jLUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5leDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "OUNxPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TYChvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "T1iSPjAqIb9zoo0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFg8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "SLmDP2wafr7Ryqu9E/aevruxG7+X20m/OFpqv0XVMr9NqiY/YxeIPaTY7D5Fwm8/0MIGv8d2yz8ysYs9c5ImvzDAz79zv5U/nSnDPrv0ND9W9Pk/xRXvP4m7s791Eec+cqYRwK8tyb7kj1o/ZFwzwP+ck79urhY/Dj/tP3LlFT87ZWG/3wxTv7A/Rj+7Kp6/mBcpQP1vTj+RNL++WxG+vhSgt79C6b+/v6OPvp2Vkz8+dwbAtrFHPrP0GED7x9C9PvW2v7SaAECvaAM/v1WmP3jLB8ActoU/uAzyv1X6Pj94sru/TDYVQJ4R+L8zQcS+wvoqQK12gr+KsIs/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2821ac7e176f60f42819644f177d5360
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Pi7Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "avtnvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mZqEPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WySVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "xm2kvo9TND6uKoe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "l3kmP+MsmjwxzVA+HcUav0VO/b7w4VU/mcEXP/fXtL99PyA/fo4CPxFLC8CLAhG+ibp6PwVSIz85jJS/AQW+P0CIcT/IYGg/YNX8P4xYvj/A8Ky+3IzqP7OgJEApC8m+JHXqvZO5tj8NQu+/TJa6PzVpfL1E7Oy/T65Cv8DWIb5As+0/NOfvvzUHO78w5oY9PDuWP/FY2b8Xdb8/1TtCQOZqoD/jxfy+UZPRv4fsgb/rp3i/rRQfv0KfBkARQpa/7wYewK5YRz71O7s8jiQmwEQk4r8TuDg/dwpev9GRRT/eJxTAvlFcwHay779bsY0+9dmfPukWAkARQyvA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 24730c326212a24a62a600a5bddf830f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "w6n5ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0A6Ivg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Iv6BvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jx5Pvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7DQiP0Ylfb+wj2Y/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "pIe5Pt4kur6nzga/vOxrP5wZ+b6UP7u/yQYqv8YwKT88vjy/qRXAv2/xwT/ToWq/U3ciwG2XH0B4h42/+KtjwE9lB0AfgWK/eWdNvqRV0r8f9Gi+uBJqvk+R6r8QpZg/302hP5Ts9rvaICg/qb1gPybid7/2VuE/Im8WwP+FaEBCLry/h0zSveL4OcBd1a4/gnaZv59bw79WyM0/I9cPQPCJhr8xGJA/D325P81zhT9pIFc/HasvQJKMDcD+mZM+ht76P3oTKcD0jKu+2JtIP4EnI78KcTJAHeZjQDPF8b8MdLu+lX9BQLqiHr/3heA/D9RIQB1MQMAJq24/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f58940d2122b290a33e2c6c1b34d03de
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Xrnaww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "J91Wvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "W5YvvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kPcqvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "llvqvorlFrxd+Yw+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQ8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "5rf9Pttt2b6IR6y+ssY2v5yAo7/pSUk9ZBbov2u2W785YWe/8EjpPRe2Ej4dTM+/9YulP/BQKb88INO/3Anjv/ATob4OSes+k1qlP5Avlz6LGD0/SjuSv9gSur3JXgHAWsYowFavwb8asZW/LPnzP9/d3L67b6Q/ObC/v2L6Er5YyULAYCcqv2iAD8BIpQs/SmgdwPnaTL8zXoQ/MPj/P3ZQeD98SHQ+I0EKQBVXCb71kcS/X8QBPyNZjz894OE/YIoovg6k8T6uRhVAk2MIvp3h6z/lwp4/x3C6P8dX3D8nfy1A4HkAQEvgG0AIcw9ALvVyP0AsDUAoe1xA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 20e259ca95b8b111b8c9130d77eef1ef
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xze3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Xkdsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iQuAPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kSaWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GD6CPkDZLD/JsEq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Tp4/P471x759QR6+rjELvr0L0r9ofFK+OtOmPq2gFD/rXmQ/3j8jP4Xc3D9d0jq83C0mP92vPT+ktpq/EEJhP/ceDT8W7d4/ed7kP+hqOL+dRcC8gOTJv3ndsb8h+iS/7T69vl4IN0C5Zgk8ooywvxjFHkCF7zC+Pqm8vm2IV0Bofno/EFCXviE7Pj/lp+C/BlOnPlGoF8DrpGG/ccABwJhPF78Kqz29TJnRv2Kyjb//g9m/xFQKwGpVE8AIxgC/MYq8PwRTVD+wY/W/b+TSPyjsB0CkTyg+FwnMvZU1EMBSqYo/jNX8vmzEzr9JkNg/roYHvsGkZkDkfkK/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3acd521ff157b4bb7a2de087221fbeb7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Pu4AxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ahdzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "5zbhPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "I5+Hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "symHvqW9mT/V5wo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "s47EPhOXZD5EyT+8HqRCv7MhAb+kZMe+M0Cxv8yDkr3QiMm/NGQjv5GcajwmEhjA39xkP7/cHT+PhWe/uIf0v/r2nT9lC7q/UWccwFBMjb9XZvW/us4KPsYdrD9F7IA/04UzvwgjhT+sMNI/86dKwCYYl79Njoy/kjPlvZ8xE0Azdgs/1du3P8SzsT9esuo/Rq4pwH0KmT93DFa/3hD+v0JnBcCzrwPAqPg9wLIiUL/8FTXAPYr1PxQNoTwTjt0/ZxmyP866NL//0zI/tvcJQDqiBkBcurQ/54ChPzD41T/0BjhAWvgsQP2uq776SRBA/SLXP3Jn67+KKsY+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bfa5ed74700d900a3073947ae261635f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nkrvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "fTxkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8aBZvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bqJWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "QKRHv0yJ5D06dUU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQ8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "MzZpP7LSij0olZc++IyCvrw/mL3qM5k/ZKPDv/vIYD5Anck+wlRIP6Uk3r502YC/r13AvkZNWb+ShMO/+Z2UvrUokL/aEcI/yVsJQOrJBz8gTzI/kKgKQIBcWT/aut8/Q5ncP0bh7b6QIMW/nqfXv1ZPO7+j3ky/L705vjOBTT94mhxAasHJvjwjor+gyCHAz+FHQHqCFz+IW7K8CBO+v+MNoD/Q1ak8KU2CvdT77T+cFAxApGkAwEi227+6w9++oOMgPxYsBD9AukdAnlovwG/Mpb5OMdW/2/MbwABi6D7UgQnAE7QZwCuFEz7j9IU/2+uOv5RIMT+gF0BA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: adfd85d1edec41287172126b3a39b836
username: gastegger
key_value_pairs: {}
data:
  {"energy": "QB3nww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GJh1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "lzuTvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "TPorvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lIddP/LSTT/QYW6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHg8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "JQccP1vYQr51yqC9TvApv+gSID+9LGi+FNZWPssnpr+mU2o/SdbXv44xGD6yqAM/G0uoP7cILr/yTbG/VG42v8/94D+y/Yi/g6Shvwn3hb+27aE/5DD4vx4z27+lKAFAfSCRP1m+27/3s9a/h/n2P3ZQEz8fKIY+TMHwP8Sdzj/7zJa9Ivo5v02vLUCwB+e/N9orwFw7Dz+EOBI/JdEPQMhGDj/0Sqc/qrqJP0is6Lx+rg7ANrUrQEcWpL4Kz0C/vcRAvw3xY0A7lRzAHmuePlNnE8BJ8P0+OBFNPx9+o7/c6eo/LsxJQM9El7/NfYu+nvNaQBDgJT60s7K/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7c7460560b5310c466ff70a397123d49
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2bS/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7DBmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "SaKXPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CAGZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dCkOvldbMb7XTL68", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ODdsP2qmdj1mKf09FOSmvEEnV7+/Hlg/L5MyPjWBdz8sblu/9L6kv/naDD8Egii/jRjyPqweNT9/nPC/vLhbP5Rzr79A41C+chz9P/APC8DiCIs+98/oP3ww2z6E/x0/UFKzvxCtCL9SD7I+LXnnv70fWD/grzI/hAMZQAV26r8IJ54/47QJwMI5qL9ngoo+l5w0wGRgaj+Baig/SonZPuEzHUCvNBy/sasaPh55kb8yI/A/mbj8v+sdGz/zhr+/pZHRPT8ML0DBr8o+Fu8xQN+ACcBKQvG+p0G+P3LPLED/2De/yqjTP4qITcAMzcY+CDEGvi2GREBRnKm/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b7ef9de0937543dfd23128f78a6c14ed
username: gastegger
key_value_pairs: {}
data:
  {"energy": "M6TBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Bth3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oYCNPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "K0yfvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "svQZP1+YTD6Qa5M+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "hKGoP4yjJ7z/fSK+jjBuPq9GgD9GYhG/ws8MPzIxrb9s7Rm+vtSHv/5gyT5a8k89BScSv8FfW78/cUk/VV50Psztrb46JwBASNitv24tyb88H4Q/e3LHP4oMTT71da0/5ADgPzm9nz+VNM0/RDYbQD3Sv77kj9g/f1AOQI4R0jzac0S/BEs3PpV31b+KSJC/o6fOv8cVGT6DmqG/PJr7Pv4sAkDWzqa+rOmZvvg23j4FrCNAh46RPxPSCsAzZ48+J//6vhClSj8VY/S/pNrbv4bSgz/nbyc/Yjp3OnXQBz7LsSjATm5LvwV02z+CvhrAxg7jPoRck79vGi1A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 944c2a86b68e62bf303f64f5c5106468
username: gastegger
key_value_pairs: {}
data:
  {"energy": "i0Dvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "q+x7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/UvSvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "K6Nhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "EVMKPweZtL7X3Ry+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQ8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Aa82P6tw670Rm2e+QLkKv5NTS78TuSq/hcizP8gu8T3USIS/8K+ev7Oahr+pPAI+YHyNv9o4Br/07QDAOb/yvlyS6b8FNty/29HuPlGl7r/73AbAUXoHvzUJLj6DCijADY0lwIDwCb+W2xLAWcRFwO26ob8/NdO/9qQ/PzRIdT/I8WE/2HiwP1fK2r65j4c/Sb5BwHiC5T4ezwfAUyYywKMHUr9IXFXADXvjvhdJqT+q1tU/RjCQv4Kr9D49tfU/TylaP39Mjb/T2t0/Vu4wQNi8Cr+gGIY/704vv/FGHEBc2QNAeK9GQAtaiL7C+/M/gme4P25Q4z9/FTY/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 951f837a80fc868e580ee254d3b095ea
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7y7Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "sz+Avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ymuFPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ppqhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7UeaPhQ/Rr8PuTG/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIg8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "EwiJP1kv+L2RUL8+1S/VvZDxMD9a2IA/HtXMPVjSEr8UlDi/OsOyP3iIc7/tmoE/YR+Nv/X3dr0MfZk97tPRv1kDXL8//hg/zJQ0PoTa4b/UudG/AwH6P7NK4D7EaVM9uy3pvw1mCz8KXfW+L5sBvcL23z+ZDz4/WaGPPitEuL70CAzACaGhP6Ir2bwrryHAhJeIP2+hGMBf78+/VuRMv0waSj7UOTjArW2jvjhAED/gOyBAYQlAv5EME8BrLOq/kqNlv/B8h7527W3Az8HUvimCAL/YcjFAlaOgv8rehj/eujJA/c4yP4famD/UHFFAH7bEP3T+RT8gNkNA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a39d4e8868373b8c44779ccff85c782f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2jLUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "d6J0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "F7bmvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tMtXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "P8acPYcWcb8xmdq+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Zh+FP0PO5bycR8E97Rt8vo8fJD+ns9y+5pQtv4fRALzf5pu/YZaQv+63SD+YciU/uozaPdFc+j+80I6/uFxMP6+1tr9KMBQ/xNQdwOzeiz+Bk5Q+BrlKPyMx6j+weP6/ytYxPT57w7+Rl60/frm0P4w1Gj8bj2k/OyQ4wB7NrT7+9cu+eSiUvia1QkC8G0i/UAIjwChUBUDvBC2+4Ym2P2eOIMBwyvg9k1/mP4lpyby/yzG/7wlDwLMKij8lVZs/hXULQKXlGMABfCi/iW2YP889esBeVRk/eFbYPtGEfMCxEbA/FOtfP/39kcCBRGW+BfMGQGkri8D5CYE/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 30c6b4150d9c2b75c331a6baf5c3784a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "N0fvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SFN9vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4UbKPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Ek6Lvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "0O3ZPzT0279eLoI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "GqFrP33Drr4cM1I+uupKvrjPGT8nVzE/qyKOv4L9JL+z12s/pHGLPJSwx7/mN9U+T8+dP8VDrL+hUaQ/zRM4vsIBMsCCQN6+awuRPzhcir/6ZBVA6NjpP/3fGTwFCly/cLAEQHnV/7+wQog/IlxFv1AMzj+4mZm+4h8zQKKVt7z6UhO/ym/bP690E7+ZBte/zQxfv7tRJcBWQKG/wVT1v1dT/T+dp4G+QqJePSDhlT8zPsw/YIvEPbhuBkBlgpm/HJBEP2MzSMBBI1y/6RQYvy7uZsD3fhw+UdZrP+egxz9Cw5a/PN39v4yYHr9oxYg+7bu4vztpUr9MQfk/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6d6f6b62e7b3cc836a943bb384346725
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7zm3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UmFsvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QSrFvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CrxTvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "eEVYP3GsC77EzjS/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQ8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "k9FuPwkM2r5d2Cw98XoWPaQ8TL67mIu/Hul+vzaKhb653ji/z5ESPjCtTT/v4sS/+sE2PynX0z6v6ps/dn0Jv3K6t71Hd/c/3QHzP7azuL5gAIW+29OAPqjmoL80AAvA7uHDP4PuKT4pJ/U/q90wP2Z+9z+lTYI/r8Ulv9MYmb9Ei/E/17vyParWD8BwsNy/3LGlP50Pm7/8zyDAvZ0vvw/zib9cgVfAWaqqv1jcGz97eCBA6hHev1jJk79cCkTAi7MMv4SUyr2AqXXAA4gBvy+N67+IJ4TAL38IvjszD0DgvLw+UZjQP0W5EUAA6BI/PvoMP6D7G0BbDP0/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e721fa7366f70c29263200ede60c8329
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2Efvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "c9mAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "sHLoPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "nmCPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "V+y/vunUlT6SIo6/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJg8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Kn0QPywwHz7Ducu+bbknv/xhiD+0TVK9ZXaXvgjuG78gErm/h5HGv5tVOj616He/DshBP8wRLb9mX0M/WfLwP0Y6QD+VilS/0DkQv3RCBkDnHse+mL0RQI5ksz8uvzS9FnR8vdQ3p74+/+Y/3VNWvzGqbT/dOro/buKlvok32L+F2KC/FF8SwBP/1r7+oNu+S4sIPjKfor7qjzDAURjwvyfWVj9EnuM/eSsNvkSRdb/ZRTlA2FvgPx5cqj9Jbd+/RWYDwA0wOD/KPOO/I6v0vj64Or8WLVjArzonQAccHb2TWoO/6rvMvsf+4j8NiP8/0kn9Pt5s4b8/7jhA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6da16d0857d74c82bb13490281b8efd7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IbG/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FVRUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GCKHPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "kPKLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pkSyPj0n3b5DOfG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "we6eP+6zkT2rBhY+JkaHPvqbkr+6Dr89JYH1vmrq7b6jNqE/736kvlEaJr9L7Zm/0UUbP2oVJ8B72hY+4BqIP4PeN8CNkI0/C+X1PogOHT+egYu/gjhlPTS/mr9gSPu/jDinP+DWOMCHDia/v3RRvmLVzD9KDPi95klqPwuwez+6VAHA9AqUPiq+UT8H4oo/1ry7PhpRIkD3PeC9KSgUQFiqkj2W3q0+p4zXv9YX8z9SEHe+hJPIvxMXyL4MUJg/b+GYvjDbTcCHqdU8hW9YvglZZr+dlw5A5lkQwNJMfz+Hz+++jgMEwOaxFUAB5C8/HcPtv5+OJ0AHMYa/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 769165203c7e6e8dc82c82ea1be1bc36
username: gastegger
key_value_pairs: {}
data:
  {"energy": "z7q/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "liVavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "yXUTPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CAN/vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "YmcSvxpuCD+HUCU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "igefPov0vD4IGRW/ETX+vtn2wD9NRw2/FEGXPv6+nb7YqtW/4viUP41h0Tw4qho/xMQlv8UUvj6VuSTASPTnP6jhYD/QSFc/2uu0v5+Asj/72di/ckMZwDcngT8oUbG/mkzIvyP/FkA60QvAUcG0PnOmt77Pduo/Xqinv6TJs74LuUPApRZUvnRa6T7hQhJAx0DnP209Tr9b9Jw+0ECRvt9h3L8KIPQ/60Zivwv+4z/Kyq0+ADWpvT0KYD+ClVfAGs1jP5yWsb9kxTJADMvzvaATGcASCIk/cYnsPxyk67+iBiRADV02P/JQn7+qm3ZAGbShvyoR6L+wMxdA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 9388a12d46f44630bbf7701480f118a2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pFrtww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aOx7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "N23GvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wR5jvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "I/ifPuo+UL8TSTw/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKg8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "XbgfP868Tz5l7Xi+t3klvuBUlz83j1+//sZwPKSAk78LoYI8z3/nP5AGDj9qLWg94lUuQCU0tL56STc/TyCLPt5SBkDhg2e/VIkUQPjyq7/2UnQ/imOzv4oRrr+XQt8+swsBwCuY875oqhc/5zelvv6szL8zw7A/jsdmQA5+9b6Pg6A9rQD5v1AFD8AAarg9gxJFQOrG4T1bWdI/bq2fv6izgj9LBtq/csrMvxL7pbyUTOK/6iP3Pq0/+L8GcRK/UW7hvxYI+D9VaRPAXfZdvqLcI78xmR5ACTLzvmwSyT7r4QxAefpMPx0MJr8r9jdApt1kvzJgdr9SflFA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8453f6d7a1eff43e330aae1ab4605867
username: gastegger
key_value_pairs: {}
data:
  {"energy": "mLDcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "exVZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2EQmPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "WFOBvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "zEBFPm5uFL/Fj6G+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "g/1NP6NUdDwMpRi8FloVvtXpYz/21k0/88BYPhSyLj+dwp+/E9iJPxlltL/8QsI+ZvMOv75C0j8yTtG+jgXUPyyBYz9/TGa/ueDHv+gkwz87FQe/glT/Px4N7z8tzBG/QsShvtCBIT6S4SLAKtcXQJfIqz5gK8C/mSfOvTis+b8x/5E/cqSOv2EGl78zhMQ/LbKiP9IGAcAe2QO/pgr/P7QOvb+1V3w/06Cfv5wcKj5eCa0/Heb8vxT3yL9ZOQRAKAumv+Bin77NiBrAMg66Pn5WFr+L+D3Al10Pvv5pQMD+srA/VGnXvgBwdz8OuVHAvemCPnqAwj/zpM0/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: ea615b89b99116b47cd2c86d74dda58e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "4jm3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Qulbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ELGhPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "5WCWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "esKSPpRN+b2cbY6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALg8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "nYOBP2Vvsj6AqpQ6vacSPkSniD5QBqE/Rs+dv2+FyT6mtmk/00ucPgtVOb/MhNs/8pbrPg4Wrj+l4xBAX1/Rv+NiGL8o25K86ggcP64DK7/s/Ha/+8xNvzHHBr9WlaW/6+O5P+R3Kr+EXAnAhgOZPiczFkB9Eek/m+HEv8+bzL9lbNo+CQLAPyVEpT8rHyZAn1aBvxQL3T5pv+e/Bk2zP+IHkD6T2y3AFoSMv7wbq7/4Lfy/W+1BvlFUoj8BykhAnz8swOJ30r53M2++lq8fQPU/VL/90+2/o5eTP5wwvb+GMzTAizduPytvrz/DhNe+LO0DQIqTPT7a4Yk+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 930a3b50bf87aa4cde82e099ae772029
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GucAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "R1Zuvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "NugLPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KqiIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "mKN/P3v3gz9Rayo/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "GUk+PwNNkj6zU5o9PU7ivmIEvr6hhiu/ToKDv+eScT/J53G/zvzNPWD5zz8ek72+CDDTPtHqFz/iOsA/rUwIQF1xbL5w5Fq+D24Nvgc7Vr8O2c6/FKoUQFVUSL7VI6W/pOCGvQw2+z/F5I8/gqo4QFLmzT5q1Y4+SUkRQPpQzL/DTyM+bZSLv2FMC0CQaLg/HWC0vzdAo791P3w9eWPRv+AsWr8VGIY/wLsIP9bAF0AlJYW/sdieP31dIT86jwVAGgkYP6dYMUC7s7o/DOYFQCq01r/zHI0/JoNwv9I5EMC23lY+zSMlwOw6vr8z4zW/1SY9wO2aHb87PWO/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bf61aba42ae38d02590a3aa7af047648
username: gastegger
key_value_pairs: {}
data:
  {"energy": "2+kAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1T5dvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Xw0QvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fTs5vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "x0aQPwN9Qr/dXlK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "sDuMPkakH72yY6M9/t2NvzKQIz8Izpm9V8AFv0mdsL9WQyI+x8bov76hGL9+cQk/e+P4v3L+7r7iqfc/uEEwwDYhab8AFnk9cPS9v3RFzT+QEy6/VY6/v1Q6nr+CPRRAJBscv5nw67+1NlW/RKoqvkplFMBLqpI/bS4mP7yFNT4+PIs/7FtJPynUHMBvtI8/1yeqP0dh3j1PB2K/rbVvP3lg5z1bDem/O6cJQPceqD+m7DS/XgfGP/31DkAG9Tm/GtYmQHWqoD9u+pM+TUZPQJzCsD/VzuK/32YzQEoJuz+chDHAt0F3QPje9z6dat+/Lw94QJ1gEEB7NM+/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4ea924af82a403658056da95fc824592
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ZTu3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "tjBbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "mxtTPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zvuHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ZcLvvk60q71xVYm+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQ8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "IeaGP8zDXb35HJ2+gUSCPvXvVz+5CJO/zfB/v+c5fT7QwM2/qLCnPb7m2z9oASm/BZCBPlObH78iW2M/C5WpP9dvab/xs3C/sDcVQA5gJj/LNg0+YcaEv+Kjpb/Ikck+3v6IvGzgwD5Th+8/GPUpv6KrfT+NOME/4zFfP8A2rr/MkbQ/esbuvyQ2rr5VWPa+63ARwC3f9D4vywQ+ntU+v9xPDb/jShTAj/wuwPfNXL+rp2W/glpEv+ifC8AMwUS+6wPPv+gn0r/JiKA/SUvHv7MTgD8hFwvApz0GQNktvD9CmlI/M1E3QM2ghj8cHTq/54s/QIq6Kr1A5Co/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4f2a7401f6d28f32f1839cf2633977ab
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MucAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "W+1xvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hiBHPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vtqRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "gsWxPoy5C75rYFM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMg8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ipeOP3xj4bwd/UU97ogGvVZlc77MNj+/2ba3PwPfgj90i2c7pKN+v9wrRj/eaC+/KccKvwuo3z+xRG+/Ww6FP3ZUGr+PHr0/WlkNQIt6i79naY6+O8vnP+Xe5r+ULYC/IvAGQHcey7+1VZU/gd4ZQDpZ1L4exgFANXEQQLgJJsCLc8Q/UNVLQKnhOL/Awhm/V6gYQIEOPL/YvD9AlIonPgX+Lb+T5wZAA5DPv9KKXj+WpRY/6MsFwITy1D5lM9e/JSsdwAxBF79h37a/ZrfVv9AjxD4jECzAw49HwJXHsD8xWda/dTuWv1saxT/rV44/7ARZwN+0vD/T7UC/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7a10a83af2005e92f84d2e377cefb286
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Q7q/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "56ZNvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "1gL7PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Qgdtvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3GPJProsgj9mFNu+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "+2MxP9v1gT4vELQ+sAi/vv40DT+NYhG/TEqYPpGHjr/tCWo/x+fDPxdUeL8XJTY96AZrv2DrwL9ytWU+cS/PPtccxL+CyRZA2mKXvxGYD7+7nBq/DumLPwXYiT/z4G4/VH6TvtMKxz9fLs6/3Pvlvm0Jlb9DrjtAEeYAwP5vFb/xwKa/cg/BP+QYsb+/ZnW/BPIUP55Xrj8cdxDAKDupPzMik7979zNAgXDUPo/qJ8C0khtA1TwfQOH1g78Psgw/If5cvvC8PkBW24e/Vm0uPwkvSEBVcOi+1kKLvxfqTEDGquG+qfI4vp/fbEAcDPG/+t2Wv1gVuT8mNg/A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f410e12fb99b49b933e1f9cc6aa56258
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+TPUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "u7V8vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ttrDvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZDpkvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GVYpvx+i0TwqOoI+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "3ekvPyaR/rwPEzO8A/A+v440ID+aqHO+E8JMvfURnr+Ggyk/LDazv+mGPr9MVqI91LdivOrwkr+EGOA/3MvNv+D4oL8pn12/D/6LvwfKyT/u+j0/C88owLapRr+VOXY/lrkkv8nfGUCEyws/ctwdwGgjcL7ZhPI/fKyhP911377v9au/oH3XP4TsQD8iEVM/sOCQPkdDD8DCOcQ+zi0dP7Trjr+11/i/hSYVQBi/m738hOO/3zdtv9IUgz9qYJ+/69WaPyMSjz8phN4/EXUFQCE3zT/3f4c+D7JfwF4Ior78IOw+TRYiQCSV9z0bi4w/5uY5wHmV579vUZo/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c3dbf09cba11520528d490964a48442d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5cLmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1cx6vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9mBSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ibKXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "SUu1v3tm+T5XQ1o/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQ8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "9O8TP8n1lz5L9e897p47v8dPez95LcC++MDGv7+8HL0WQ/I+pWSAvu3Gwr6+454/g+hgvyOMYz8vDuS/mhVhv91IG0DN1LY9RweuPzkvej9xh+4+KVE0vleUKz4XEAxAfqfZv4JwqT8bKALAxnc5v2o2IUDGjZU/xQ+SPcnM379/4bc/X7DqvvZ2BsDYEwpAgSaaP0icMb/8EV6/p6zuv+v6Yb/vGBW+ojzxv2d/M0B6pAi+F9AZvtjzQ0AYvNe+blDkPpKRsb9veaC/Ov8ZwHyKrD48qYU/oRbNPyEFFr5q1dy/4nYSQJyisb8Z8Yy+c4r0P41C8r/5DOk+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 252a6229b2e88793acaab7c2d5889f09
username: gastegger
key_value_pairs: {}
data:
  {"energy": "MzbUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uMt+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jGSPOg==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gep/vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "g91Qvp4kPT7/CX4/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANg8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "jjuEPxrjJ757gow6TLvJPFXeE7+iJ4s/AMhIPvMaIj/v4IO/yJp/vwpmCz/n34A/yq4Sv/fX579THxw/At9nvwwUmj8zihW+DdgfP0OQTL+bHR5Ag96uv/b8/b/3lpA/zhPmP5qO9j79ieI+Zk7Iv05P/z9Divm+i8fev8YxNT/xL+Q/MxONPwOM5j050zVA5zGvP5SxzL9jKRxAq4fEvqStbr62vADAK9vCP32Dg79Gtei+oL18Pxa21j/6z+a/wDq1P2YQG0AOY5C/q5xIv+NVd7/MCMO/dAXmP+SVmT94JxfA74KsPkbkC0DXTSHARdYbvgIei78gDkxA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 33f152344218cba2069fafd2bfc5e6a2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ClPtww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6BFjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "oWp0PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "SBaQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4q9JPuqVcr9NhA2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "4ZU4P4ZYTb5zpaM7MbTivsQjQb+841i/xIDTv+6VYb+/qj07TcGmvx+7074vjbM//vvzPdx8FTxC77M/U9Bxv2f0gT/+Z78/uxDhv6Abar/w/w9AkKWDvxtlqT8ohh1AMGNGP8fxI76uShBAF7/Jv39NJj7TDoW/7qBSvoHNvb8iGM+/oWYWwCb52b+PPfC9QBUHwPAzDr6P++y/zhigP695hT9nvtq+vTXMPy85kD8bSOW/wtw2P0tehT89JhzAYi4VQNf/uT4BvAXAYyXaP/kOor+ql+o94NsgQIYCbr8O/CA/jgcDQJX1BkBNu/i/fxkCQMKCx7+I0Ey/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 289e108cb9dfd8d0ec2970d75c6cfc32
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7y3Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6E5wvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "h/yTPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "liadvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Io51PjGxyb5eLuK8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOQ8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "HvpWPwymDrwjvIS9pJxfvnon7Dz/kow/JuNEv2wpp7+mDBQ//AdhPj4Npb/abRu/aeKhv16Jl7+bx1W/K/aFv09PCMD4/pw/O4xpv9VwXz9NTIk/8Z5zP5cVhz9FY3m/LNXPP0dCC0AWgN6+O8RLP22/BsD2l4O/8GqNP4FjJUCwB+M+beLoPy/NXr7efMs++ragPqCMRDwS3BlAzjNePz2GRb+gqR9AVropQFPi9T+TRgy+IVwAwKOWjDsRNbW/b4HUv+SXCMAgeJi/7PfGvy3EdD+qfJG/d2jUP4YoPECISpu/XvL/v+a5O724kSDAYD9DwMWTgzsYQYu/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3e26ca7c03b8db12ace2a64e2b4beb33
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hjPUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NpF5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "U5cMvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YWtWvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WyVAP93vMD/RP6G+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOg8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "/RQ/P7rtTz1qf589Wg8/vxeyBb5aDQQ/hzWXv+JJbj9rn7C+oK4OPqEHij88M26/xZYOPsJaLD+89Pm/gPRtvyKysj2qxck/5skZP2g3IUDzs3a/wCXOP8wyIz/jgZg/Oge3PzHYk7+JRw+/Ru6zv4kTur9x/kI+aMsZP4f5PUAkigA9ca6PPxRwvT9RBtg/N//NP/S9JUBVILG/EFeOvSmrRkBAzMy/kEpZP3j6x78lLrK/n+bIPyWa+r+Z8i0+SIYaQH4PX7/UK3K/wOfnPxYRAL7upPk/OL4kQFWTez9rm00/dxQGwCn2tL/0Gy+/9WSav1HhHcD9SFA/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1a857f10dcef26eaabfba77fa4ca3584
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ql7tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mup5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "p1qLPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "96qFvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qyERPz7Q3j/Y2N0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APA8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "bGLQugaGlT6zNl6/a48+vzr+wr7Y2tu/E5P/vyhQRj5rwt6/8CQ9v5xcqD87Q6K+WBL8v+VQmT9d1Ge/T3AywEQD7z8nCzC/cmayvjcdFUA+LiU/VnMpPxpvCEBiwn8/9HK2P6AFJ71BzA6/DDG9vrbBVEBixEM+udiCv+FlFEA9s8A/P+r3P8uVUj9lr/S9Xcr1P2IDd75MecG/BvvLP44zo79TGLI+X4OGP7xMir/aw+A/3ijEP+KFUr5dfw5AgBAqQPI1w79YTdY+pVj6vIa5YL/66ds/+2SLP+5ACMBhj+a91l+pPx3hEMC+Qx9A0FRoP0BrDMCNk1ZA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4f17433baa9686b7f5bccf9012b3c59f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "urO/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "zcthvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hBKGPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iGqSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "p8tKPzI9Eb/8qcE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQ8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "U0GGP826zT0d1iG9EYgGvsPX5rzdqoe/8sd+v5mPtL5EEU0+vUf5vncvtz9YgGq/sZ8EvolmCr8prwHAFD4qvohAcT9WS/M+5zJUvlw6zD/oBK0/1xeUP2U2mL/RMkc/SEOxvoNvwr/YsHM/vu6hPu0M/T8gGJ+/kOoNQJuiUz8UVvG+akYov3F0xb/LEgBAtxogwI7Vlr479QM+xoMfv3riHsBZKwM/8qM0wNToFT+zA92+OpTaP2vW+7+H03Q+l9QxQLCLjj9JiaY+CynWP+gyg7+Zc90/Mwo8wKrqfr45/pA/kw00QMuEdj7HPoa/59M5wBwJmL+Garm+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 74e9a2586ab426430bfd2f834619d48f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nBnnww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mUtavg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "LGNDvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "znIpvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DjJJu3o2Kz2DwDq/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APw8Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "KBXkPrXlWj7anoU+9/Ecv3q2cj+XOBi/pcPbv/eyfL3uVzu/tmmGv3WODUAVsmO86l0lvkf51z+GjfG/7RUmv+CCPUC2EJe/ST35PVMEbUD/OnG//ae/v7A0XkBPHNO/xv6wv9f/n7/TF1G+UJ9oP9lY0T+n2AXA1Kc1v7tctD9EdjLAFExZvTjfmr+JTsM+NsgpwMhHOT4aTJy/9rn5PmXuMT8QI58/SwYAwIYCCcAB+VG+F865P9hqhj5bJSe+GBobP491EMD7QWs/2CTzPw9lC8ApBr0/pdj/PYzfTsAS3W0/v2JAQC0pCMAJb/o/JqR+QL0EBcCrbBhA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5482520467bda575586317b3d970e823
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ik3Sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kusmvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "r0JKPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PnxZvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "KXkVvkEr8D2ztd4+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "zvJhP1f5Mj10XGM+Yn/8vVZsgL+Zchc/q4y+vxohrb5Jn2w+QzWXv8WFlz+aln4+oK6fPgLNnz9VmqA9ydt6P3YSHUDso02+8e2gvZxznL9U99U/NVoAwBwbSr8pmZG/FSMQQA6RjL4lAVA+gdftP+8XI0DW+Jc+AEMxPhPCDcBPguu9DFWlv3r0B79WZ/a/uWm/vz0l0z9Y95g/Vbjbv0TZ2z+hdAy/DNHSPvZaUUD3D6u8RgUKwA10778dW5a/DAwYQF1VoL+qAha9MF49wOgjmr5tQa6/KPswQEL8kj5tXe++X1sPwOLDFb9LMX0/2fw9vhMWPcBRnsQ+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d1cea4dafcff1b05543f28399aa6dd5b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RUTvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yZCDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tf6WuQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CWuDvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IEZoPnv3f7/Fj62/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAQ9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "1cxEP0tv9z61mcC+tLLZvtHQXz/oNpq/BaSpPtrlV79FyY4+C01yvY82Hr+TEqM/2ealv63N/72cAam/svcAvyGt7T8bx9O/hdPTP1fnsD4mmIG/bD+IP6rTvz9AVBc/ER5Xv8Fyrr/4pxO/CjX/vmBBCMBaqaW/Evjov/ZB+L+GYYo+lMkwwHC3L8DZ+cy+mTtYwKoRC8B8342/brANwKSywb1GofK/M5cRwJUPZMCL9nO/hb9awGY2S8CS+Lc+zdgWQItu5z8kgU8/sIVDQHWsoj9+xBw+DVOSP8djyL+uPMM+oqkqQKKvKUA6Udk/fFVrQOtrMUDgBdw/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2caa3876b0ee03a4fae2b566a9a14439
username: gastegger
key_value_pairs: {}
data:
  {"energy": "dsXmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GR2Avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "86qOPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1sejvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1CuVPh0gGL79Tai+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "jUkiP1QQlL5c23q9kO3+vghBC7+nVIq/M8XSPC4/UL/tpaA/7+2Uv/tIqT64T42/hkVwvhRl4DydFvM/zVLCPxy+Yb8Ei66++7uVv4o+2b/EnBW/oDh/P/FniD/4n6k9QTifv94gyL905VI/yNsWwC8dS79DsJs/JBgivmQPRb+B9AXA0ME2P7yuu796kuU/2+iov/5kJcAJx5s/JzpJwB2rnL/a9lw/QbDeP4dSyz/qq4C/pNaRP1JgyT+p1fa/My4oQEYcdj+uJJi/GHQJQO+nQECGByq/1+uhPzV5aEBZSf6++lcwQD6qQUBn+Hk++bIuQNqMXED2lL2/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6b76869166515f8445d92f07c2a50eb7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "jz/vww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "wlBXvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DtgVvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vtoxvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "ol2FvEz9VD8QejY9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABA9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "WWCIP4qd8DwV7O08doh0vlClWr+BrFs+wbXEPoT1hz9bmng/PMMvv/5A2T0MR54/jvoDwFJA+j7aQro/YlmFP9OIhT+G2ZG/fiARQBfxEb+TF8M+wGAiQKc/lb8B46e+8xlbPluRAUCPHYK+we+Gv6qahr9c84S/VPHcvzQXWL4daqm/vlR7v2q/AsCj+Ny/i7xdP7zPvT9bwe0/r6kgwLuZjT8Gnig/zYBSv5XtCkDQsxC/zDorwKJJ0r7zncg/XPcrPwRtQECHyQC+DRAdPzvnNz+rywXA9pIIwMAkhz+S7xhAyvQfOhwm7L/l1R4/yGIDQOELtT9hKqm/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5839fb28b4a82eeb72c782ecb5ee14e7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xkTSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Q3VDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "evxePA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "C2VRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "lLwCv1jFGz0NiZe/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "DRZNP5Q2qr0SiK0+hIYfv2UjED9GQvk+sluxPtZtnr/nmZg/ER99v6fjHb+74LM/CgntvyaHm7/DkYs/w82Sv51Nnr5HaBxAr22Wv4P/FT8Eqe6+X582v96V5z9LZ48/0AGfPiGqBsAb8io/rqjEP4qBAj+9O2U/XLWsP2hgw75HuYK/SRqmvl2rOECGdJY+Y846P5LwM0B6cg28sW9wv0ftO0ASLR6/51/tvjRtc0BIG14/QBMTQEKunz2Ab6O/4nBRPwmmmL+rpfm/Gq+rvvkr/L9qsu2/kAaEvxx21b8Atpi/nVStP4zWq7+3hjjAmmFAvw8+DsCkXi/A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e17d30b5bb24350a4c942d1e3945ebd0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OkPSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "WaJjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "eH98PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HGGRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "opyoP4dQpbxUOtg9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACA9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "0o4fP2GCjj06KIw+863vvqrmX78KfUo/I0ypPu9Amj/5Ghi//oV+P48FuD+WyjE/NgDBP8BVk7+Mb4K7VTLqv7aUOb+ok/E9PJwUvwF3Ur/I5fA/y4LbvxmEc7982nO/BwmxPtm/AcDUUpw+VOSQP1E3sT/2EOa/SX/xP7pfor9pP4O/zqw1P0/YSD9e6ybA9MIWwPwMEj/OsKw+BtUiwFolub/oKgc/kBTfvx+nlT+QYfC9YeUIP03hLsBY/YA/86wWQBeUnr90VzA/7PkLQMy+jD8ohNW/OEyMP0rmG0DVFQbA8E7OPsTV+j/ei7g/mUoDQJ6A2T/A5Cw/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 68cf6e75d44888067c32dd6d20f4b6a2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "kzjUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "yxRzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8UmnvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jStevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3EZbvyLDKj0gYw6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQ9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "5xObP4CuHT+WYSs9NCKvPq9QMz/GDZu/yJ2GvwgFjD5eWDq/Re5Gv/gKQ78JwMg+TcjtPvNwRL6y4o4/KHwHvyb+CsAfqCG+4tm0PuFeDcAkHE6/i1rGv2p8kj9tyoy+wVEXPm8dNz/pSBRAufsSQOaHjz9BW0A+s6W4vgu1N8CSwSo/2483P/t+wbzO9vi/4SIIvwKTwz8pmAJAul6QP34nfr92y7o/IWDxv583lr4NZdy/oXXLPmV/2D81ctW/mK/Rv3RRTb/hhog/bZQGwIwTxj46dBfACnmIP0C4lD/MJy1AZgGxvylfIcDhjD2/b1mnvs6wDz5oeUdA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6b2ce14887f9b47bb0df252c55029805
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pLC/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ndVSvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "WfqQPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZamNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "w9jCPfERMb6I9Ns+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "6siGP3Y8FL69CYQ8AIihu+TtTL/go16/ugekPsAonT98aSO+GCpNv7PdAT/5iXu/oKAmP6M/Zb3+sME/DsozPtGaqT8zMKY/Iznlvi13DcAwFV+/uWaGPsa/0b9cVgLAAskGQKqBnb7K5F2+2eidP/XS+L/eHgLA/Q5DPx7/BkAHtyG/PToGvq+KR79GduU/wu+dPU+TOsCVS2y+mze7P7GsAr5evw9AgBKGv/4w5D/7w/Q//cHlv/3nAT+h+wa/DlFjv/a8Wz9N2gDAPgn3v/b0kz/SF9g/b9m+vyEfHcAfjIa/w/ehv0RrM0Clfso/T9Rsv+vm5j/WAUBA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5d3b4a02b8c86bc0523c529221d74838
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WErSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wb8pvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "cy5FPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "9gpbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "n8gTvd48lb4E54w7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACw9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "OehWP3DHpLy6umm9opLTvmNUGL/Gfwo/H2i7vxDvpr6ycBG/AQI6v7luQD5+Et+/Af0JwLyr4T5WH02+6/IhP53ttD4nJaq/YfGUvsOm1b87gkQ/bhfMP1Aqbz+EzRPASxAyv0dPnT1ROeI/USkkQOBBkj+4++y/Tb6ZP4Uf7z8pcC7A4QvjP47Lgz6k9EnAUCADwFUCm7/bllS/lbX/P63PLrwA2zo/EiFOvxL+4r4hOiLAO1LlP7Ovlz4zXdY/Na4vQCfMDT8HnbE+mL/Uv2KvEr819SNAVrmuv3+qzb+N8jJA5YIpwEvYGb+l3wRAvhbgvwVfKrx+lV9A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 496e0be8894d686d81ad069ad285caf7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "aR4GxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OfKAvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "FFpWvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7U1Mvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MnclPxb7C75Uxr8/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADA9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "GVxDP3oTqL6IuCw+hXz+vUtU3L5nSqA/HWafvrC8RT9nifk/VzxePsgPmD7eapa/75DYP7fTLD5aFvE+4ZGkvyko4D7z3KG/7wgvP8vQmz+i6cO/C3Xuv4ujx745wE2/8ZRJv5aNxz8KxK4/nDo/P+BXf7/gse6/dLwyP8Bxlj9mfD9AmWHrvyvwrj+OFua/vY6AP37u17/0VQe/nmDFP9PtAj9DFklAUjwqv5SUJT9bHFlAjzJLPncEGcA81ZS+guhxP0Tko798iEDAx4H7P28ADMBL/sq+ehI0v7RTuL5DonJA5LuyvyZJqj+gn3NAJrNqP3WeDkDkDUhA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d84561ee339519ffd637d8d745da2598
username: gastegger
key_value_pairs: {}
data:
  {"energy": "eLC/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "GJZfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "iGeJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7iSSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Df2TvvMC7Ly21hc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQ9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "r8jqPi07O78I6OW+UbdNve5hLD+vahC/PQLdu7DQ/r/Id5e/GQ4pP9Hyy7/8SU0/1muvP0JvrD4yD3i/IhHPP4njqz7woAHAHE4/vxScXz8c6K+/WpADPzNlM8Bk4k69mHWMv8oqAsBjXai/R2ChvmYkvT/+OCo/fC4LQELxLD9h5KS+vpjwPtSRDcBaSQnAYQoJvoH0ur+SecY/8gHUPgATqz8oMrs/L1fYv1dX6j/pS40/B4hUv6kBNkA/c+8+LLIiwL+Uwj9QYQE/LMcOvgRrX8BjDJ0+Twzyv0xH8z9a3ApAvKbQP5/Qwr8Ta6c/yjnmvutBXkAEtJU/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8074077c76e7c725a2bbf728af32164a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xewAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "mIlyvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "J4bkvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0/hVvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4ZcKv0yOm75Eo7s9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ehi+vsYbxL7kAaE+C0XRv4hLsb5g+Jy+wiELwKf8dj/Py/S+u/oXwDIitD9lVQI/xt64vw8Nzj9Qa3y/8OdcwNZ+WT9js6S/+IGFwFxVUD5XW0e/iMdPwILc2j5XgxHASsh/vj537z5D6YA/fCKrvrBW0r/3d5U/CNZ5wKoR6z/JibW/nDGpv+1G9r9Ircs/AoFIP8tNr75CVzS/pVAoP7MUE8D4y7A/qRceP6TZ+T4nLrK/zJhMPw9Eo7/L06K/IpoEQGVyEL4ojY+9A98iQAq/jT8BSD4+9EYeQKEFbr+b9NM+6VgAQKPdCECu/Sy+dvNfQAVQiz/A7j4/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7e3a4cd846a4141ca2ed2f9466d2250c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "DUTvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Kv1kvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "763IvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bOdLvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "5nkwv6SIvL7Hukg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADw9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "FllQP5pGrz4uLx0/TKIxvjLFOr9wpIg/6APFv5+BYL4NgQg/0OQPPdKNwz8FbEI+rlGuv91fnD/omJ0+BhdwPzXySz/4BFi/3eTaP3kJ2j4XrJs/rbGmPq6sIkC5YOI+Nsz2vTOfIb9qox9A/jDpv/W2Q78FJ8G+urMxv5Tdp7+7RTdAUiwkPor3CcD5zSE/9ILwP3IXpj8kqYa/y7IUwL5mzb5qeKM/uln3v/XVyj84y+O+2trVPsnQ2j2veALArB1iPmnUD8D6+ui+PHwQvwLrzL5C3/e/UB9+P7GLyz1vuUbAnh2PPyRyHcC5zoc/YYAbv3a1NsDn9ns/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d332faf07873c62ad1faa3b682006ce7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3qjcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "dEFdvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "DoZ6PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fPGNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9YTlPrUa0j4N/dM9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "AMh3PuBOdj02ORY9KOJdv7X1fL8979G+SjRxv03PgT/b03g+O5TzvzldIb7qJ9E+pFxWv4Fpyr6PYuO/VcKUvo5ATz/F8pG/UwUhPi3/zz8KINm/dDJVv9urBMBiKKK+7Fh1v8vr/D9n5T0/GuTiv7Biir6e8grAA67LP81rgr3bth4/+FcFwCQFF7/8mN4/4Wifv40w9r7lBA1AuCE6wGK3pb1uxrW8EFbPP2153r49N9I/lwArQEZlbj9lyIY+pE4wQE0d9b7F34G+Az0bQDnK2z8gIOK+KhYjQAuvJb9Z7aa/pMNWQMpmnj/A9IU/3ApgQF76kb9qmS8+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 2a6ac35be7b63c950d349e523fc63894
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5S/Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jZpvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "X/CJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Xkmavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "hzN/vu587z6qmjA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEw9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "YiVFPzL71j0vurC9GyCbvv+UJz7kXIc/k3gmvsocbD+sz3e/I3elv1dEWj87Q909x43oPVBDkb8mN90+bcIQQO2smD5Yo5K9W68hQA//rT+5T+q7srJgPr30+T9mNYK/VeUJwJ51ej6R0ja+JoguQApqW761m0Y/L3U5v81H9b9bPr++DAsbvr1H+D44HSFAU2usv3L0F8A0nk4+u6tJPy8l3L+u6oc/HYwtQG78z70AtHy/B8TQv3+y6j+2MOY+eTC8vphd0j5y7RDAhz9kv8/NhT+73zDA5/orvfr/xz9wpytAfwo6P6t1BLyNjDxAgWmDvw9FHj4DvkVA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7f9859695bea81fffbfdcedf5906f73c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3bDcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "uk2Avg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "IjXtvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0PRivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MgNtv25Rpj6GyaQ+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQ9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "HuslP38Qjz3t3e69oWvgvmx0ET752mo/+nuQPmoKt771dsC/nA+xPwcnN79L5xnAi7Hsvz+y0TybI+k+4NgPQFL0Db/vRvG/5d43PxzKDz8I6ybAeuUMvmG2jD9LxgRAqPKdPz1QvD+9BBTAQBoJwHwhPz/XS52+MTPPPUT0Ij9U5V/A8ZTnP6oArT7VKRs+K0HIvAz0u77s9BJAQNEhv+WFbb/9rc+/DY4wwInTVr8PnWU/KsshwHFny7+LtNI//p9xwEcEVL9dUQU/HDRHP3Xw1T/XX/4/Uhp+vxASzz9jfR9A4HJ4P0ZESr+rIBdAkqBIv70eXb82xThA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8f1bc0767603ae82d1e4ad6e3f7c6ab2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "WMTmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "xNCCvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6uh4PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "4e2hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "qmXrvScUwj4Faba+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "D1eKPzdOjLwV+SE9qk1gvomaar4g+k2/lbxnv5OZXj87w4o9a7FHPvufIz8ARJI/wu3zv0HDEj/aocs+1hHjP1Uel7838tI+OgxLvzmivb+dxtS+elknvumK1r3aFhTAWDeEPjAYWz/f2ifARJUOvhv4mr4ukQlA/IG+PyPgrr9kC6k/Ccs1v8/qdb8l8dw/l1LtPuzvZb9Q+i7AhfiUv8I0Tr7jvS/AJ95uv3EdEkBwEwG/8c8XP5qQwj+wXtM/NB5uvXk9B8CEAM++e3jiP4WDMD8OAd6+/+N7PQMJKEB8ok6/gvPKv68jFkArmLC/a3Knvwg6P0B5xnk+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cb05a572e45601dafd85108698ca5603
username: gastegger
key_value_pairs: {}
data:
  {"energy": "IMHmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "FsF/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "I7pnPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "z9ecvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "AWoCP46vBT9lpck+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFw9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "MzZCP8ZwVD6TdyG5GdnBvlT4jj/zsgo/Xraev+YYLj8sfTC/q46Ivhbw/75Kr3G/oxARwDHBvD6P/Om+UcPAP9cqRz94IhC/4NaWvyptyD/JIuW/pGZmPH7LHr99ff+/54rTv4nDF0Cwrce/VKqvP6WPH790C3U/XdQjQHman7+Grvw+pXoXQJnc878UXrq+jjl1v6wRNz/cgfI/ABenvzdFpL4DtPE/gExavtNkUD+JDyxAh/Xnv9ssrT9SLAlAC0I3v+ta3L+lMM++GnEAvh2jC0CGWAk/2Gcdvpvp878/5bg+UspTQGCd/74g3E0+IAA9QMz1679txag/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a5fba6f172ae13d1dd3065b564d6fb06
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ak3Sww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jgJ0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3xoYPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "owSNvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wASCv5Jctj8FNCE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGA9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "GorUPguS+b0l9Y88yVnfvnG1XL/6umC/FWqrvzNg5b7X+Ii/aqIdvs1rB8BV3ae/arFcP6QLL8B5y4e/pIe4vp7Dej9oG1c/bbt4v8m9IcCm8fe/oat5P8ViVr+SPB8/cNOlP1jyfj/CNh6/yv/VPrAmBUCMAYA9B+flv03VgD8Fgws/1E6lP7t2gD+qudq/YQs5vcmEbT9UURVAXrgTwGP8zz7j35c/+tBjvhikJ0AU1SO/YxD3vhQ5Bz3pljJAyT8VQFO+eT83PI2++1+EP1cWZj922CBAs3rmvmBS5z/yJDZAOtdwP+nBM0Blvi8/FysKwFQX+T+e6iw/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 49e0821abd0463556b57e9216edce406
username: gastegger
key_value_pairs: {}
data:
  {"energy": "LDTUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NC93vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "B86ZPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "HAuivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "yXGnvNNNAr4zUNm9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "TlOMP8QO2b0Bp1E+SFwSPrAFCL6+InW/Y1HCPrhzNj51srE/hyZJP2F3tr91c+y+jDpav5vsSj/lu4M/EMCbvztRdz5Dq7a+tYwFQD4PrD56ryQ+uMLHv1zuBz+QrOk/TFcqPV42IsCUiHo+gQz+PjfO1D7kcxTACCvKP39Y479OP4+/x6c3v7oQDEBesWk/DJ0Wv8WUCcDuSoY/NALDPjSUwD8G5xXABv/DPwD8OD53ciXAm2AXv0VRRsC1oeW+EGryv/HQHL/sEIq+3eTbv3VpgT9OUnK/dP+vvv7RIEBTud4/jJUWvptw87tEWkbA9EU/P2xGT8AtUzI/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cb06fff2efbd4b86087cef1f33976db5
username: gastegger
key_value_pairs: {}
data:
  {"energy": "SuoAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TKRkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "q9DAPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Yb58vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "RZ60vvZAS75sBEK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHA9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "NyAuP6dqGr6kSuG9MUjhvu2U4r5+CmE/+uy0v0nu7L42GLU+uq4IP988kD8so4C/stnPP5MV+r0yweM+ja9Bv+M76D81uYe/g3JjPx7/Cz+PvBbAnD8+P4MOpb/pToG/Xka9v57zmD90DrW/XOxuPxeYR78Z+RDAPOOhP7Iw7z9TLiu/yYmEv8dXB0CSZga+hUSMP+Fdw7+0+UHAMMTZvnelEz8trek/nVJ+P5LTkD9iY1DAEkm8v3fh+z7rJjJAuWJtvrz/1r/Cg8M/8JervarBFcCCC1c/MzEdwPMi/z4e6RJA+Pawv/NU076VF1lAtguxv1uZrz9HB1tA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 82a8e0289b04b31b1a5cbcf98e6dea0b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "7Vftww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "HZRgvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "/WzkPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "vSF9vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "n5M+Pt17eL/KT0K/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQ9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "YsFsP4MTI71987Y90Y26vhL/nL7UHUG/AyJdv6pdiD/6R9q+aC2jPhwIrj+mP9g+uhZcP0iur754fMI/UH5HPi1VVz9gWO0/fWShv7Qiu7+LBK6+Xy02PxpUoL81EPg/9jy5vnufqT/ZhzhAOVbxPxXUaL4ey8a+XmlMP020FECXwII+Qd/evz6Siz/H+6w9xNUfvaFRtr49qw/AOxKxvnyvKz8xwmpAwCcRP57rBT+vUSDA8955v54SlL5dXjTAl3coPzimyL+ZNyDA0Gu4v+BKu7+xBz0/VDZRvy63GsBuYyG/cNYOwElssL/uNFe/0+JrP8xlyr9ZX1vA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 36b6eca1b79b84470abaac5048530874
username: gastegger
key_value_pairs: {}
data:
  {"energy": "w7ncww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "X7SPvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "t0IYPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tryivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/G/Rv+wvhz/gZ/y+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "qkCFP/nLDT4D2Ji9c0DPvX1qD784a1+/SSiEPvKOjj+ynGE/0PeJv7FfHT+e4YW/Ti2bv4g/ZD/gm/A+mMn5vmr10j/Cz+e/MiaLv42lGUAoHeq/A8rSPzoSOT8FUkW/a0H3PyDESL+bkh0/D7gBwLApkz6SF7+/P7lmv0t9vr+QzHo9LEHdPhPLYz8Vsvc/olMTP938CEBw0jE/oO98PkFOg796veW/iinXv5xE+b4Zp3o/Lre6vw7IIL/MhQJAHUCAvis+CsAOvB8/NMbvvx/V2z/whT4/G78wwLofGr8w11s/QdAoQEZnwr+z+ZQ/Dh3Lv+U3B8BATQS/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cce24ca0a81d29ee9e37faca44a334da
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oF7tww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3uYtvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "q3ZNPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "iURhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "s+ozPpmBMr/nxrS+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHw9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "wTZwPqLBGb5slFE+zcFIv2uyQT3d+48/z+Dvv6VmMr8aOTo//cjBv/rErb+JRfa+5UlJwD6uPL8Bzqo/54lZvl0ggL/Y70a/Ev0IwC9+AMB/dYm/jioqP2KSsb8twei/mxjGP7QL6D5aYos+neIEP0ZaWb8EtCrAjG5HwJVX7L5qtRNAwN/xPyc67T4U4Kc/BmpkwL/C07/YA6M/Lg4KPxlPF8AMgQPAdJIOQBepM76ZSZ6+a5fIP+hZ8T9Mx46+xrFdP8yCIEAAkJE+plydP2vK8D9fvqm/bsA1QFxcH0Bh/wm+9ZpdQIqWAUCB5zO/s6Qkv/37MT9o2/w/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 4176e57f99400c0194e52bba54a40a3b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ja/cww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vHp1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "R1gUvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qmRQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "CD17vtdRdT9GmQ2+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "zTVEP6Udij6PVwQ+NeiUvrt7qz8T2Vs+6+0dPgqZHT9vlLs/DuDTvwVLKz93+Xo+DZ2zPYT3jL9iy9M9uLhuvxeP174HVIY/0m8NQFDaAT/f3Ua+y2McvaYWM0CW1nS8duIKwD2J0z4Biy+/Lkp4P2+NRUA3IJQ+BdYjvtlJQ0AscIm/JdI+v7fCWUCoqA8/GwQxP++v6b9oXSg/9Dy4v6OVgL9JPeg/EVQVwEsanj8yy2M/9aEYQBgQ1T5vxqK/Rs+uvpOR3L+ea5m/hDdov0Mfh7/JfPG/0z7BvVYeN8D8JMK/mzsiQCwlwD/POPU9Yd41QKN+aL5Y6aA+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a7f8decb65da3b081ec621a8c9ab76b9
username: gastegger
key_value_pairs: {}
data:
  {"energy": "8KcTxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1a55vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "EqNnvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EMY/vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "4h5LvVchRT58D9O/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQ9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "BN8qP10hKj/dLlu/o5M2vogvUr5rIcC/Y8H4PpbgPr+X/CfAMtfNPrPwrj/blRg+OWduv+8goT9ilDw/8ibav/gckT/c+Bm9VwXtP5fjFL6niybAf7zwP8WYMj8TWLy/1PaCv8NbyT0Xbtc/NPNiP4MTcj7npGzAHt5yPtvc47+rVDTAoyznPkJfnT+EW2vA9lEyQLj5KL+NyzHATkaSv5g+DEByJKI/565Hv2SMYb9CTaM/vTKKP8dGL74J35XAeESwvwfrMD52Hz5A9DjPv3xHkD+ypltAqHG6vwlug79/AXVA1xqdv9w9CsDCjl1A1lfgv6FhU7/fMZxA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 742267ce2464cde2e8780547abcc3796
username: gastegger
key_value_pairs: {}
data:
  {"energy": "BbHcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "1Edwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "StJ1PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "M96Wvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9OCePu+PPz+Xyru+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "grpsP2t5ar75eQ29xPP9vZbEl79EZ/A+NQu6v9cbGL9erRg+i42Zv2TkOT+oDxG/8MgGPjKghz9GiiY+0+COv5F8Aj9PDvu/6LFqv6H4AL8rncM/y978v4UvvD8iBqu+e7jsP2FVBL+CQ5a/pGwZQBW0v74qEGs+n3AvQGllor/rCj0/kUDpP2DXwL859s6/G5tOPQ7yD8AazhQ/ztg9QLSJBD/IyPA+YXOAv45Irj9QPBnAWVCpvsN9XT9JB88/5ekCQEwVjj5CR/G/5If5PvsBYD/B3xVAg46Mv96dyT90OPg/CZYeP2S9/z98W829hs8WwCXDlb+wojW8", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b808f83958c964bd0f45ac37e9df85e4
username: gastegger
key_value_pairs: {}
data:
  {"energy": "zcr3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "KPJkvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GqiMvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "JV1Tvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nkGDvfpEPj5uNPC+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIw9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "sMOSPmjzqD5NtEw+6bZjvzbBxjyYhSy/l1AEwKmKUT870N6+pPsIwKG9yj99Voy/fR85wIxicj7Sbgq/sh2Pv4guuL8v+YK/w+8Zv1a2A7/EEwXAgUXUvpI+CcDfvBa/j+5LPu3zoj93S50/7bHePqLoHb/8IhjApTE9vzWc5D+5GrI/Y8aoP0RrwT/I/QBA6Y2mv8C1Sr51KjbApFYfQL+7TT+IaOE/7uQcwMLY7r+QvYW/ba8eQDA78r0sLjg/ufgnwP87EsC+ZPK/ELRYQFCPdT/8ZhZACBO1P2nXtL7BGEa9i8lXQAIoMr/9rfk+KHCjP0lJD0AccDRA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 963bb746bbee451cee4160c00a09d96b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "N67cww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "o1hevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "0c1+uw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "bF1avg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "aTWUvkEr4D5VpMI8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJA9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "qdghPxrBuj0Hrhy+4KYWv7V8Gr/9PWO/8heSv8tAhL+JJ/Y+HVF2vnkPnjs89Ys/zHGVP2S1uD9lnhu/+9rav5KzjT4YM18/7PIJwF45fT/2H7a+r6jNP4C/rz/fAs6/3oYVwHsVhj7RHeE/rh/Gv/LQ3D5K1bO/AJvNv1B9Pj+zHBzAUQ02wJxY6T8YILa+HGziP1arcL9Xs329e48OPlt9wb3h9wZAWeixvshwt7+F1sa/VA6uPzP19b8H9Fg+zQ4PQLORhL8IP4a/iBg0QEl2Dr/WDFI/R0MgQEO8K79fstw/njnFPvL9DECNjyG/8nP6PwLE4j8uuZY9", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7aa23fdb4a0b067bedb4fd4af3412ed7
username: gastegger
key_value_pairs: {}
data:
  {"energy": "47y/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SPtfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "RQ88PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jX+Hvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1ecKP1AZkz/mP2S+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQ9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "gx56PzFcV73gK9093a0uPhBHrb8lam89B4bXPdZOgj96ZSO/+L6Wv6ruuD7cl0S/kaZOPzCJSj+PK7U/dFZ9Pit9/D/mJxQ/uz2gv34SbL8H14W+McUsvyMtHEDARW4/v0URwCQZ1r/Vfb29TzwBwPHeYD+II3i/irIaQArqNr4T3Lm+pWVIwAIZmr9Dy8O+sZtLPiD59b8Oin0/OJAGP6IRAcCzID2/2Q99P5paMEAuxcw+VmLvPsX0sj8WzMy/Os4dQEbnFb/cbrC/vdGSPYKluT4GZwZAq+4+QF/LWL9nzZY+W0M7QFeASj/labq+p9HcP+Djez8r1Pw/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: def023a2a1f6e6bd73951093c5cb3809
username: gastegger
key_value_pairs: {}
data:
  {"energy": "i5zBww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ECCDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "8PmhPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "jJ6rvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Tx7Wvhb2xD6NehA/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "VdNXP1cvt76uqXc9AavnvtoSqT764du+xlanPSEKpr+r8XQ/cJucvz0PHr9SogM/y2kpv0MLID7mAb+/ju1zv/HZAsBgiB0+WHkQv6nU6D/85+e9rQG2vjsx/T+4uXM/cFZcPsPvFkAbBSq/pj/HPs/gz7/OrPg/KKA/v0uTFMA6i2C/n7kDwNM7pb4XoZE/lG/Bv8B+MsACMjY/vFj3P5+vPb+n/US/PLIKQDqeZj5OxIc+RGAYQAROnj8lKJy9yS0yQBh/9L1hH4w//HT3v/IHGkB/mPC+90gvwEAp9D8pOJ49vxkJwPXwEkD09sS/Z579v/JAXkAhJ2u+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: a43508a12e1426c1e3b59f7faf776e3a
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Srjcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gqiDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MQoCPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "1LiHvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "j6Wnv5wzAr6AZTU/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJw9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Phb8PgB7/j1eBvw8Wa+ovrc89r7yvoE/XhzCvxcYgj4mD6c/wJ+fv4I3kD+02fY/tkMMwH1/Pz++BFc9RPFfviakHj6ddKm/BG0awEwSK78cAghAmsF0vmZmWr96YeG/ygbPv44ILj/pqZK/bw1MwLTnlD92ijE+JmoJwBOcgj/l9AHACE6vPo6VSD8BjQHAxvc6P3E3lD/gEKg+5MnkPyR4M79vVQI9j1AtwDaSxL8gxMM/GMPwv6tDgr9E10BAYBtUwLO9Db6hehxA387GP9Ju3r+7JW2+phMNQM/WNb9TiIU/RFIyQGOiOL4AG2W/OFFkQCDHfz4OsdC/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 565336e0782be5f97ac77ce5a564569d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RugAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6L9nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TtRSPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "fjqOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Oq85PyTWQr7USIs9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKQ9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "+nP7Prwrmz4Tge49kmEEv7cKHr+XEBu/GqyWvoTSzT89Py4+jD6Ev6TFxT8Ions/5aBnv0om2T+BrI2/zvaqPrddH0AmqaU+37HDv7njib+Xq4g+LOCbvw2NEcBSNXY/0pySvz1Muz6r4cy/fycOwPlMNj7bvda/z2F7uz6yub+Y2Iy/kTDCvrItCcDBe9M/+FgxvyGakT5kASbAA4iDP020K76t/60/AzLqP2v5qT6w2wO/33MWQK7YZr19o04/5U49QO4nMz8DhKk/MkI4QIlFgr9Jd1A/wHt6v+J3RcDwMoQ+rM0GQIMSoj8RZEy/Gi0HwJwyI8ApD8M/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 65cb76768221c5dd8889f47088e1d864
username: gastegger
key_value_pairs: {}
data:
  {"energy": "d7Tcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Vwdwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "4liXvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Oxxdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "fQXJvq1R376UaqM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "OnIsPwLQrb4y25s+IMPzvgvtoT0WNR2/DEBPvwFCTr9topW/vxuCPg9vfL/uwMg/pYuBv2wlg7+bhP4/wjIJwI5Twb6KZ54/YHzRvw4fJj88GV8+njZhPLt7iz+n4NG/sl/pP7gSGz9+SbA+R5igvx5xxb/0XzpA7GOFPyi+ub/mFwpAEeEOQIhzHj9lRKM/stL+P260Nr9ttI6+G5gHQLwuMr+buq2/+HAvwEdBk78Bnjs/xQY1wCcs1j3w7Pg/2wuEPCZGCUDBg6W/NNIkQNjXu780h3c+mWykvzhhxT9Diz8/ZvwcwGj1dz+YPOC+CPi9PvxDTD8RRTDA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 881c07cc6d51628230a94473f17e1f2e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gULvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3Zh+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TMaxPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "02iKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OulFP09Aoz9Juoa/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AKw9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "bN5JP2S2l77pK8w9VjGkvonICr/An1G/875Fv2Wnvr9bLwW/XN+1v1FzDD8A01W/VREEwJIPND9y4O4+c5BYP+BHgL+v0qM/qyS2Pa4IKL+Rz+m/FWY6vLH537/5htg/kCRwvwzP9D9Lxa6/X1sLwBFnLz5PyMS/xvxqvn3eF0BcQyy/O1frvueR5j/r/RXAfB/kvwc5JkAEjLy/4pMlwOIPXT/2oMQ/fz39P0UmrT4E5cW+u0/kP0faS78waeo/iP/cPzZ7oz9v4mO/JhtDwJeZfD+cGB9A8DEnQAfYET91qvU+51YpQIL5Cb9YiqS//kdLQAPicrzicvK/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: beb22de3019b9fe6176889e021210e7c
username: gastegger
key_value_pairs: {}
data:
  {"energy": "GBrKww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "NpVFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PzqVPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KxmIvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "io5kva3dVj7Ugqc+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALQ9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "vfCAP1XVSL37r7K+5v0zvh4Geb81V4m98lSRP4TaxL++egy/vWKsv9yw+r7bfG+/+yMPP/PdYz+Esa+//Stkv+ZUZD/xRJa/dWHMvzqKBT8hXjk+Vo6OP7Xe9r/F4Me/9KNCv153p772SJk/PTW7vxw+yD81cue/MBF6P+Gx5j+fbJy/dYXkP8GjBcDoTgI+p30CwEqZi7+kg8G/IbgiwFuMfz9sI9c+fmLAPx33Cz8uK3k/6Q+7PmuNnD681QBA0WzaPz9uzj/ZoFc/DFMcQAM1uj1CK6Y/x5C4v7r9cL9gKOY/53cxP5WrxL7WBzNAdRdRPenvnD/28yBA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bd5e9b397030bc1df1fd8cd6d4e04d09
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yEXvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TIp/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Er0MvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "CFtcvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "v2Vmv7hAAj8qV6g+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "/fVTPwQWub1ixhG+7Kaqvhox8z7geiM/bf4UPye6rj+xF3e9FXFePkD8UL8y+6m/lKYEQIieGL+UBPY+reYiQDH12j0mXJk/vTc6PpSi1z9OMHG/CrKLv3bkiL4hjLq/fG/Jv4wIDT04VBm+75bavqz+FD/82AhAvVZBvzZDur6OGyVAJUYjQAvz1r8U/m8+jQYJP6lKWz87oyRAKyeTv2FurT+t1hpA50P7v948Yb8t36g+VPorwFsEiD9Y2Ia+1htJPrCs8r9KIpC/JH4+P8glJr8ZXxHA5hkUwGjs/z+nuC+/U6tHwFmjoj97DTg/obhewPlmLz9JxGm/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 979aad572e847f8fd77c1b854257feb1
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3TW3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "o+Zbvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "dhqJPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7zmQvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "kQo7PywOZz4awBs+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ALw9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "5b4ePxu/GD6dBR++xyMTv/9cG72NH1M/pAeHv4oFrT8dWv0+vhvMvyREir/D978+0YPwv3zVbL/S0Cq/Rw6Yv+7XBcBSMe8+W9jrvLSsvj/LihS/6TBEP1ddXb9KU46/V+LIP9p1mz4kasM+25rtPyQMKb8P5f2/0YnfP3R+hj4hkiTAyK0fwDM1gL+uy30/9wNBvkOnb741QhJAKLFevwrb/j/9c6E/5MAzQB9kG7+1g7e/dEsMP1HdAj+DpCZADuzxP44+wb8mxyrAjY32vhqJuT9i68m/maYZPxd4GEC+jQS/FhZ5Pt8anb/bbRxA/YyIvxeaE76quztA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3f00879b6937d26223350371e684cb51
username: gastegger
key_value_pairs: {}
data:
  {"energy": "UKmkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ofJfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6fLmPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/tB8vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "LsV1PpCgGD4o8uS9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMA9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ecPdPtheEz4mBYI+COhSvyoZ/D6Eg4w/+DL4PbnjNb4jKpG/yZOUvltCeD+XGPi/5pFvP0zDGr87iMi/wqicv1A8rj9OX8K/j8CPP9qrgD9NTaY+v0PhPlpo5j8I//G/p9Dbv7OvHD28zSU/3LqLP1FLhr/Gw30/JR4EP4wWdr9yfBhAJ+ADv0ViED9EBVnAcCOBv1D/yD+p+ZM/5UoFv5Q1Ar6uIhxApmahv9Ejbr7CPF3AuLCOv4Nqkz3IxlRA7ldlP/Hyxb/9mU1AU7BOP0BQ/78EBwI/7c7SPrnBSD4DFXbAkugLQF1tf79b1Xg/K/5bv5kPtT+NF3/A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c7d2ba03f9a7307ee19d7c6cb2827110
username: gastegger
key_value_pairs: {}
data:
  {"energy": "PJ3Bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Rih2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "MSOcPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "7xyivg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "OzYivuRO6bzVIR+/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMQ9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "6qZYPwWhPL6yuQO+/DPMvs7dRr8x91W/8V2VvWKHLT9GOjs/Gempv5jYlT10cYw8carWvrRE2Tw0f/w/cPTPvyCUB7+XVLM/KsQHwNtXJj9Ji+u++zQWP6uNqj3fOsu/q/COPvlmtz8kQw3AVxUWv/Rr57+jQI+/rrTFvttRAkCQ+8q/pv4YPmeY3j88nGA/N98EQNL6W7+ix88+8L6eP0NTBr+4kA3AebbTv8Hjz78GJrs/VfcgwA7g9L0cQfI/7EiZP96OAEBoIBfAgAfwPyi2pL/QQLI/CNJOvjS4pz9RukvA+wgaQMf01L9tJYS+uws6QNwIG75lFQI/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 20e49081db63ec69b370d8da0af53609
username: gastegger
key_value_pairs: {}
data:
  {"energy": "FCAGxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "2+CEvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Me5GvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KgZYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "pIjcPs4ZEb4r3sg7", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AMg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "LPGQP5M+Iz/Kk7g9dGcdPpkzsD/Xy2S/tYI/vkELyLwI/MC/BbwgP2PHQL94t82+5/dGvtSVzL8MTRA/vY2Dv3G5AkAvoXi+jx2gv+N7ir6UfsW/L6CPPxpQhD/mfcU/MZOUP+5QiT4MbB5AFoONP0GrCEDjI9s//M9hPhsqFb7PsSDAvGHJv90QtD8HJP4+NnqHvybchr+pX3g/V5S2P0pBsL9sZk6/NxMfP3LTBUCKNcm/HkvHPltY8L+Fhrk/mPyzvx1NSkCnyfe+iEkKQHSEUj8ck3u+rXU2v0tiN8D4oJO9env4vnwaTcAUppq/AhKrv0HeX8CDDhk/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: bd30dc122b5f650aa745f2ca3d418473
username: gastegger
key_value_pairs: {}
data:
  {"energy": "gkbvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "toaKvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Nso6vQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3lpmvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "X5jEv/siET8Cmui+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANQ9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "SzsgPz6bGbx+p0s9nvFCv5M3njy/eSi/0N+Gv1Z7g7/zxli/K8DVPpDuTb/F2K4/z3OZPw4xsT988rI+stD2vfcA4r8R8pw/JKvGP+9lTL9Ol0S/renQv8nvEz+iJ58+ApYRQEY+uL+zw7O/GclDv3YHRz+l6f2/10rmPu4K/D/Kb2I/uRgUv4a06z+XL+m/iSNOP6In4L7qDRxAPMq8P1U08z8FMhK/G0IFQE2kpT/8dns/a79AwFqCyT4GJnk9qTZQwFTzKr+X58C9RnjtOvW6wj6X2inA+rxWwO1wdj8+5U+/bE/dvz+yKz8uFh/Av7xiwJuzQD8riXE/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e981de6ef4571ae40c0729301e6dcc5d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5cjaww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "M1BZvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bTcBPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Dp55vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NQeIP6Aaz745C0M/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "QmdlPw/2WD7k31g+Q3mAvjyRH7+M2z4/oXSsv+WGAr9gm4C+TwTQPgMeQT+bboS/xFTmPxCagT8EB40/6AC1v1lvdj70c4Q/yWlgvyGvuD7ij6+/QPwDwOjtpb9+Kuq+0do+PGqY7b/qmMg/kfxQP7MRyj/Msri/SNoVQEj3Qb7jCrQ+cMAiPweRJMDvIIM/HyPUP5e/bz9MJwtANRMDwJ8fhb7r6NM/Ny0GQJ4MAEAmO0Q/OoEEPxoszr/XeyBArQVuvzCaFsCFueg/E3HJv/GvHj9RIBrALIiHv3Mdmz+4E0TAE+0lQBw7ir+xrGo/7Cw/QJpI07t1HQC/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 186d2d605533d9728871fce7f5504166
username: gastegger
key_value_pairs: {}
data:
  {"energy": "6S7Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Dktzvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "UU6UPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "G7mevg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "N2x7PrmlVTwoLAm/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ANw9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "w0U4PkWELj8ierG+O4VCv/e+rj+QZKq/CaTHviyY+r6JGtU+brWRv2pOf78blk2+PfC+PujAAT/1LOq/9TSVP9vSxj8yw88+BZCdP/k8gj/FGRHAYCk1P8iI9z9NSqk/fpx2vxsHxr1D6Ng/kpDcPcYUQb/IXBjAbTd3vhjckb8aqRhAvmHhv63idD9j67W/GpEOP8rsvr8HKo8//iu2vgRwIL/4vk3AnEQyv/k+HEBBnrm/7iGmPpurP7/WOk9A4BzNP31ql7/Po5I/L8m8P9AhGkDDdk6+GYYEQAscgD+yxi0/1ydqv7AP978TZy9AD1v/PjpiIcDYUkQ/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: cc5493582336f05cd405a068195a3e61
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Ttrkww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Cylfvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "9KU3PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RImGvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "GRydv6UxSr+yY/M+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOg9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "B7xCP899Yz6lYMI9nGo3v2FL/D7k0iq+3XuXv60jYT+HRUA/Puenv+JsRL8fGgK/of0swLiHWr91OYa+v+9tv3gzvj/sG6i/Iq47wIh2K7/P60s/s+S9vtD/GUACw46/oo/tvqXodz932iLA/f5RwIZ5Fb7g4V6/WqGfP2F1kL3lFVi/hUL/v+9F4T+Z26+/xmZJv+87dT3pLSbAUcVAwLMe779ggAW/+kpqP6YfSr+yeo8/7S+gP0HckD9dkOQ+dN3APjLA0L9Lhn8/E/f9P5mtUr9jzvs/qA43QIbC2z1/LwFAla1iQPvUvb2dvS9Ad0/9P5Hn278GgiZA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f7c7e8779873aa166373bca2b0156a53
username: gastegger
key_value_pairs: {}
data:
  {"energy": "yiHKww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "rTNevg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "GcZdPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "DxBsvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3c3zvgwfkT5sJn++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AOw9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "/7YSP02ehb3hd0U+jZIEv3edgL1mlFK/Ce1xPhPjj78Hf5k/kwuRP0u5qD/vjm4+oo2Cv0v45r9CpSY/hYT5P8YLTD7034K+/AuJvy05gb9Ei/g/DR7EPo+/CkBEXUu/kp6FPwMY2b/0p9E/evGyv4oxhb/uFRW/dHYBQCWhRz5Ft6K/sk8UwNHEnL9WKpC/6j7Svo+zlD8KR9i/kZqgvt/YNEATKoe+AJ/MvyUFfL2Bfvc/IL8TPmKscT+ACSfAuV+wv4rSxz8/GQDAmmuGP8T8M0AuNbC/7w+/P5O05D9IcZI/pICTv2UvyL9mvjdAyG+Uv0NFOMAcxTI/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 68bc385827e4ba4b37b953a8a0c4913b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "sq3cww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aTt2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gT1mPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZeWXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "3jx1PizxgL6BPqE+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APQ9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "4w+GP0uavb0lkD09mQ7zvXCSZL8mIx8/m38TP2CWGD8KRpu/raEIQPPZ3j6JuWg/kkqnv24OPb8lo7q+W5EZQErNLL9+58G8UGOJv9F6d76HjdI/EMNbv3rdMz7tJb+/UEkKv8OAzD9gUo6/cmBevwn++D9leQ6+qN0FQHJJZj7/0vw/Wm6Zvzv0Er0NAiDAIU8bv7cZFkCXcPK/WAIIwB/h8r3NJCo/Fu5Bv0XBOj+G5QJAdKavv/LKY78viB5AlYnjv5dw0786jD2/ji2nP3fCMT/xggDAu9AnQFevrz9a9yc/CZA2PjXs9L+moF8/iH0bQCcvx7/i9/c+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: c80a458a51e706e768a33ba1e25a642e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3Drvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "OIV1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "XacRvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "YRtRvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "XflsvnamWD/uQjM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "APw9Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "4qMUP+CFrb3izuw+rNMiv/GDT78WsRM/uO97PkCHqT/FUKo912e5vvNV1D9GEqO/DVs8vw4QFEBTS0Y/y+zmvnamC8DYO1M/m2Ssv2X6rz+WuaG/tmmJPt4hGMBBItE/edSdP/oOBr/Vr52+uIGQPxHp170Nf7U/uAQGvVD8PMAYIti+rEyLvnzvGsC9ma+/LgvzPqdlgcBlps2+pjObP2bYIEDGFx++cipfvjmZPkAE9Qa/w40Fv0Yle0BZuHm/P/K1v9hJJcCudJI/K3bzP3JuGUAZ+X2/goXkvyuiAEBUJ0c/tUDWP8rFPUBBWDk/7j3fvpLqL0DU5N0/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b68854a0bb9ce6ae11e59fa59ce5a10b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "xLS/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vwxWvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gzWOPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wJOOvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WcBEvgwfET/SNQu/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAA+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "XHA6P/LH5z0JxkI+2IcBv9kTor41uIA/mqjVPonDDL4aS6G/eCWpv7V2jr/7RGI9XJZfv2vJZb+9jaa/MNsTwBBRa78pPyo+e0ykv+3+Vj9KYNI/VJCfP2Efwr5ubPW/SmDLv/NLyz/REGg/8tHYPx+2kz8wpx4/kZ4uv9Wpqz9yEBpAcLdQvzBsAj+fVu6/07IevjKGeL+86ec/W8sCQNmFjL4Jkjk/P62Cv9on3b9REf6/MIOnvySrpz84SKm/1cwqQPDQCr9Q2wK9UYfJP/EG1T/jHck/JF0KQKfh4D+AYx6+7DtTv574Hz+pOjzA7dgLwOO67D6l0whA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 8f71c9f4bfceb893ec8bcf329cb06548
username: gastegger
key_value_pairs: {}
data:
  {"energy": "aDXUww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "T+Zvvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "gZiEPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "sDyAvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "r0LKPP/sxz245Lg8", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAg+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "xDiUP6JvUb4hAz2+iorSPXd1OD62HJ6/v43qvv3SPL+fEb2/fKr1PuMOCb9ZlY4/ph3rP58oJz8a3Ca9PcpDvy4wGr41a7I/tQnFv/6ILT/HvMw+iaxEv+5ElD/0oy6/Fh0yP53lRD+xOyDAF3afP80G2D/MvRHAjkW+vwz2AL/QWypAQvX6vz0OyD84T2Q/QnIZwHx4sT0o7e0805hfv7KBkb9loFNAhcXzP29Jrb+RnBW/qj2HP9Y3kb9eHug/jhawP7paZD32oj7AzOQawDP4hL8uwBxAqJgjQL38ib9LLZ6/fpLBvRR9gT/q703A06zhv1tSyj5Vf05A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: fc374a46dcced2f0714e400262516c72
username: gastegger
key_value_pairs: {}
data:
  {"energy": "nsLmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7KR+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Q/5ZPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "PpKavg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "26cDvqxzjL38jKM/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AAw+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "3jsdP05eCD6XoG66WuD9vpB/rj0obow/5Eh4v7/job/QHOc+S5cyvnZSar9iwlG/5Gd6P0HkuT83ciq/bZnpP+PC/77UrOE+3ojFv9m8mD/7goc/ZwMLQGw5HjwRfJc/ZtCxverSOLyF/gZAiIzGPRfG9j97W42/ZPiOvzwXCkAc36w/L9T+v1RCpj/aaYo9PQxSv/bN475jHMi/WVewPw45CUBUoss9dI/SPgwx2r8QMKW/gG30Pyn3nz+Q0dq/e5oiQDFCGT+AG7C/kAAXwEZadz9iH+A/gzwWwJY2ur+T0WQ+InIHv3u6B8BQhnk/Nz0wwA6u5L804oM/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1854b9fa348762615e0e83d8b35ef045
username: gastegger
key_value_pairs: {}
data:
  {"energy": "E7q/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "UDdwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "miLAPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "0h2Evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Cks0vwmKpz8AbwE9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABA+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "hhiUPxa63r7Z8X09J9anPSUo7j2xAG2//5IjPgaK37x8Npc/NicBvyE8XD927VY+wLkRv2YyNr9WUqC/rzYIP86IcD/jaAfAwID5vxwIfz9VYog+b8gCQPJnUD6maoo9cfbrvkt3Yb+MeL8/3VARwIcYwD/S4ya/lVgTP++17D7IKgRAfO3GP79h6b+4/j+92/GXPx104D+1luW/Ir6IP8wtoT5HjzXAtGgcwAL3rjueHo0+LxDvP329O8BlRQm+EDAZwCxH5z9Wjr0/79mnvgN2sD/HXyjAaT74v2ZDM0Cwubs/P4EGwBYuqD9tdxpAUshewL2n9T/5H78/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3eb35676924c90d20156b986642489b3
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KZ7Bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gJ52vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "YcOTPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "GECgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1zQvvqxWxr4w9cO+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABQ+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "WaYWP6EpJT6cjbo75C00v8sbfj/HUdI+IEjfvWeeh766YaO/6EOsv7HkED/RLma/skt1vxC3QLxhQcg/5zz9vlSYdT/CSwTAL+gAPorT7D/GTAHAiX1rvxRJQj963ULAGyO/PpFyQb+px54/JLosvyWLA0Bchig/Lx/uP7GuQD+vSM+9NTruvxZ/Hb/Ubbc/N+eBvc3hn78BX92/UXORP/wB8r6+cfw/0Xp9v1TE3j4T1iNAcq4YwLUVkD6OT4K/+PK4PnYhEcBzAIk/EnXRvk5tJcClbrg+hvCpP5KhKMDsKjU/NmcgPnAxMcACbAFAGB8TQPXSyT5SFmG/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: b2a060439aee9d5c5bf1db7f4257d284
username: gastegger
key_value_pairs: {}
data:
  {"energy": "glrtww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "8kRwvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PzZJPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Vth8vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "tTIZP3hFUD6R7Xy+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABg+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "vRggPzzCRz5Dfz0+Hc0zvxR6/r5EJJs9vI07P6JAlz/Bmoo/WpAAQLgA6j+TR5M/4AUSQD5zD0DDiTQ+lYT/v4JVYz4c7cY+sendvuFMvr/z1oG/awEyQIITjz92Q7o/LrIfv8UK+b8/N7o++j2AP4Oonb++Xry/78PIPw4wVb5E2hO/vxyJPv2/C8CAgUs/r2KYv9uS5788eNy/A9jBv61KCUBBPeW9o4zzP/KwJ0DmEPI/FmeDP9QBXb/SQCDAmiDPPzDdCMAoArm/DiQBwI4i6j5cnro/cpo0wMdh8b71NlI+fIoOwGosuz+NDLS+bl4JwFBMpj9t8qy/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 442c509dbe124c9941250af7b125939b
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Fzq3ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Y15nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "HeR1PQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "tWuSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "TDcpvqZheL0GDZ0+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ABw+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "O9EcP2kKhL5HRYY+X6oDv6FSNT/lAWi+8ubLvJ5Yg78sq7k/tHu7P+3/rD5/cBs/3t7Av9GoFL/jSLg/F/uOP5l+mb/pQFW/RVR+v8JAgD4bxY2/ugnFv/1RQD8m6VM/VUebPo4A8L+ODZK/TQuhvzpduD9qzsI/0j/2PxDl6b+rjuK+Xc7UP2G+BL+ZjPq/fEb9vCeHBkAJERu/WHpvP3TQTL4UASDA8autPSAhB8Cw9Kw/m9rePlABJkCfKIM+1po4Pzf9AkBaw7K/fFlcv8B+LkDro3K/Q38GwAWcob+VulE/bU3nPj4ePr//KBlA94b7v/ZaEL91mxtA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d168732bfc399217d21e502a7ddd37f0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Xcbmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "BYx+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "L/lfPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "KEWbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "IxVmPlMiOT9JaEs9", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACA+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "5EdsP6TaLD4+Ej2+XteovcQcTb9JtFS/TG+vvxeZFb9bGt64F/qIvui29r6o4u6/DiynPuVLCcBrBmC/J99dPAk7IsDDgTq9gEmRPRlltz9Klr88YQGsv1VyaT+FWL4+0dMOPeFx/z8/K2y/+P7CvwquhT8YtLg/Qe4QwBcjX7+dsg6/jnutv0bcur+GO5E/wb8EP3cNEkBHBIk/dM0HwK6uvD/2/Be+7MRRv3aUh79M5ek/7X2sP8MlLEB5vUw/iXaVP538Yb77m1A/i6oNQFf1uD6T9Xe/CrwAQD7SRz92/fq/PDUuQInJGL9Smo2/x/g5QJWThD8hl+e+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 67aa4ecb13efffc9b2df5d9e1565becc
username: gastegger
key_value_pairs: {}
data:
  {"energy": "l0Lvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kst/vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "zsYKvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "3hldvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PSd9v+V+Bz1lAeM+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACQ+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "cWuKP5tTDr6e50a+XX5CvodWJr86iWi/EnYtP+GqgT2P/J0/UENvPzLwtD97eqS+Gsqbv2etqj4Tw4W+3DpqvkXhjT8PFSc/f647Pg4aPb9sXdA/HqEZQPirS7+Iyeu+dgomv24D7T9qFqo/FTEoQOAiv7/zr7W/6tg0P3TZ6D+AZae/1SvGvlpa2b+7zym/f5rgP/IV+T/O+SI+5FPUvzMJgT+/KYC/1kcCvlfWEb8nT/+/zJNLQO1OEr/IbJk+d8EWwNlpsr7FuPM+IL76vwtxgr+A76A/uv06wKr4er+SHGe+S0dLwKboKT+gGIU/bsl5wNgqfD7Sc8E/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: d4c325af7a768de085d49987aa052c5d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "+D7vww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "5pB0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hLoIvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "RWJSvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "Y0U9v3o2Sz6n6Ci/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACg+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "jS4uP3U1tLsR4Jw+pX4Dv1Kc7L3KqRm/KRCav2gEjj/cTAW/UR6av42fub+bVjq/dV4jwMFRkz+Efm6/pr3KvhBCYr+Y/fC/8hvFPqbBbD7yfOA/YdYgvwPsHT/3q/w/hXSYP2m5jzxBeyhANLj7P5XzFz8PvDq+y7cAQF1Oaz/CwJu/lovsP/VNWL/C94w8x/YrwKziUz9Bgvy/5KgPPwAhq7+5AgfA3CkjQBXflT/cYQc/dFNzv7aiA78zOi/AehJJv7MZEsB43zG+aNFMwA8HCz+U35K+hPgRwFXFvb9UqFa/lDg3wIRyDEBvuVq/GCMRQMC2i7/HEmo/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f9f500545912b56289a7e9c723034023
username: gastegger
key_value_pairs: {}
data:
  {"energy": "KD3vww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "6WR5vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Dvh8ug==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "8Wd4vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "knnkvnr8Hj+zDFE/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ACw+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "p6aNP7usyjs3qLQ+Q8EIvqocNr+GyIK+Q3oePtN2QD/PmKk/5qWVP7bSk78WnLM/qtWlvoddO79nX6c/1ukHQEHjCj+lRtG+MWy1P4wLCcBe7YA/+BUGvyetvj/xkmM/UB9KP/K8oj/CFB5AXlvWPzq7cL858RVADDP1PVGO0D843ENA8wcvQOrbfj/gATw+nsKyPXjl2L/J8Cy/c3GVv3ghlb91jus/5B2Lvxf5tLuGfJS/vQutv7EihT+vS3G/4oLJv02OGr+opwrANXcfwNwY/z2THUHAj0srwKSWlD97TSzAdFQGwJvOED6WRYHADKZcwFFI0b4BpEPA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e60416c6463d8f3c7ed493342b535145
username: gastegger
key_value_pairs: {}
data:
  {"energy": "krW/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "l3RUvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "39+APQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Q3KKvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "PsvjPtjY1T61N1g+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADA+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "wa4wP2NnLb/AHkC+nX8tv8FMsb/r9sy+ys2UPCq+Dj+81mO/5xmqv+5bEr7lFGq/RbYhvzRLCcAzDJi/lSPYvobXwD9uNnk+SDx7PyHKfL5zHqM/GE7ePjhDbj9LL+q/FCXoPwT3sb/g3kK/M8LSP6OlzL9O5N6/vkvkv1G2QT/ga0s+nI/3PnSDbL+crPw/yLSTv2J26r/0evU+nLb7PpSRmz9wabg/olIDQJ4xqr6Zqr0/P9gEwByUaz7muo4/YUQqQHCAVL/n6ze/eU37vqSLJEA6iiM8+1qsP1Yz8z/zYbU/bPgnwBBjsD+3XPe9J9CDvIjgsD/hVhlA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e0fbe033e62d96e6fcf28e38b9c17e71
username: gastegger
key_value_pairs: {}
data:
  {"energy": "AEjSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "vw9nvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "da9TPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zv2Nvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "f/aLv6rUbD5UUhc/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADQ+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "urWNPyA9Ab195F0+9iRWPm2llb0xe4W//fyevw2+7r1mWvO+SE3OPictg78jM8e/CKnWPvJpeD+86Pm/bhmVvi7KzT8WT+G/An3NPs65Yb9GfJs/PKyFv/1bW7/0t1g/vCnmv8ZSnz8squa+Esbwv+UaNL+RuJG/qxDMv3fB2z/N29g+05czwM5UnT/38gu//+OTPyiEgT/8nw8/vDAMvweaDr4h5gJAA9bJv92Y5b9DTXw/kfP7vv7Fcj8aTQJAzE8hQBMfCb8aiOa8azs8vw/kDr9S8kFAkhAgQJuRyr8e0rC+Vsg/QJfrcT0ISFC/2DdIQKSY777GtmA/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1fa3bb5342fd1723c289ba717270796f
username: gastegger
key_value_pairs: {}
data:
  {"energy": "hMTmww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "Wkl7vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "hNiZvA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "Sg5ovg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "glZwP9PBmj4HQjK/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADg+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Ggs6PyI0Zj5QBvK+pzREvn5foD8lSiG+ll+VPgNHE0CDrCk/QvDdvDF7NL+ht7e/VxnNP5aWJj/hd32/oYyXv/R/nL+qdEm/rPWfP+g2LEBDGJQ+0mcbP7ijyb93edG/ijzQPj4v/T80+9k/RUnBvjedtrwPajDAJRN4v1EQYT+QASXAgZ/XvxOd674WXO++O+Hmvj1nRkC5Bx8/xUygPxYZCL+bf0Y/USnyP7DarL/bu9s+fpUaPs/oiL/AuNU/HDQHP5kOhz4yQlPAPrt0v7t+NL8/fljAV6UGvoRACMAVzsE/gNHGviDvy76uIyFAYfbuPwJfFT4s+a8/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 79768dd05aa6f4373618f14799e42f08
username: gastegger
key_value_pairs: {}
data:
  {"energy": "cLbcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "3NaGvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "QswlPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZJCbvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "DFmdPe27AMCjryg/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "ADw+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "QC9CPpY11L3YHl+9el6Zv0BwFL+ytZA+FuJ5vSfSyb9dgHE+gLq1vbHaEsDZCxS/g5MiPwEs+L/P48Q/PR4HwK3kEr+UTke/6W1hPxf1FL/mYg9AaeBfPfMaKMA3WwpAozSCP4eR5z5b2Yw/ZO7Pv3b1mb5bhZ8/FvHKPxrdG8Bz/6c/K/7yPqFvzD5vr7q/k9oqwNtlrb8UlTS/r9TjPImoqL62GzhAg1c0P/xbuj94iLM/zqpZvjVtib2FyQrAFRbhP0/QGb9w9DhA6+8DQHwIBz+tFUY/v0WqPjEw7T8EwMi/Erx3Pvg6QECbEdG/qIe/P9poCz6JyOC/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 3c558e08739f25b7934fff5e43b6f955
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Bi/Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "J2l+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "842IPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "EFihvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "MiA7vt0H4L6XkG++", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEQ+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "71RbP4sidD1thTC9cUGYvpjDyD5FnXE/MvbTPg3PtL9X3H+9Bh2CP0jGVz9t46u/ohB/PTONWz88bPC/+VrdP0BToT7Es/6/mCDAP6iuEUArTI2/2xZQP+GbNEAW2ea+t9Qqv90yjb+uZYA/tpSGv3Lry79BK7C+IE+MP+xJEMDMffK9zFPjP05GCT52UQw/VPseQNxKEkDRPR+/faLKP+FGNUDEtQLAO5rnvztxRL/pfJi/uxrNv2sdgL+5iwbAtsutv6X0KMCNDLq+l2aLvwz0gz8r2gg/uBdkPoSEbT9dTwlACr9pv6HM0L8Ic/U/8MIDvwNPjj9XJi9A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 375e70f7d2b8860924568d015b4976b8
username: gastegger
key_value_pairs: {}
data:
  {"energy": "OLXcww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "+U6Evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "6xlCvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "dxdYvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "teBlv+XQAj+v6/s/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AEg+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "7585vVWGWb7hbw4/IVrAvx9pxL6sIos/JPqRvvGiqj9E6iw/u2C3vzOMhj9epdY/GT0xv6hw2z9B1Ii+EDtFP63qC0D5c4E/lrGOP5FI9j+AoO8/gD0qwLX9+D9Jh9Y/GfdGwNUm/z+Zqy0/ZStbwHIdyj+MlBdA/e+kPh5wR7+730K/PY4ZwHzHPUB33/w/cyksP9JUBb/MnKk/dXmAv/32fz+K9StATyy0vhxGD7+kL8u/gRwOwB4d474k04Y+J7zXvyV1m79wfuI/9wO1P2Ncwr/oQ4C/MwgHQAJg4b8K3FC+knTeP8YKAsDwdRLA4tUAQBzcHcCB81TA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6e9bc17275fef5cf1ca1895c0376ca7e
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3i3Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "0eZ4vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "jq2HPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "zF6evg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "9+k4Pl35LD7Ie9U+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFA+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "LQdxP9/zjD4f96c+dQQkvqVvjr3PGDm/gC7CvcvfgT8zQ5c/LamTv23yQD+myr89YcfBvuNmkr/UgFC/kK+pv9U5SD519Lw/6Qw8PYhm/z6g7/6/hsXgPXcZ+D8NKds/cbvPP+RsgD/wqQi+jJTsv1e2uT9OQre+ERCuv6Uso79gg+w/ey95P45BZb6VkDHAExnTP7bNVL+6vFo/zmwQv6cd7L9PK68/VJf7P2bAiL6jahPAwO0CwLHqSD+ftQJAkoeevwJesr9PfjtA1HwEQF8cEL8PwtY/4/8hP/OooL9N0DzAqagUwPgS3L/nfMk/8YqHP9nllD7T7W7A", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 6b52174d59684d8b70ba7a2a56cbc9b0
username: gastegger
key_value_pairs: {}
data:
  {"energy": "HUDvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "VRZ1vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "uB/wug==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FjZzvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "wvr/vQhy4L5txd6+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFQ+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "DpUoP5T9ib2A3gY+2tCavvnMkr//xSG+hUvWvzO5Hb9oQIY+V4TAv0TITD+cCE8/8cs6vdpjnT++JAY/ZN/2P/Dl1L2JMGA+jd2zv76dZb+ryZe/DaOlPHydCsASwic83wkdQK09rr8qgfC9bGtZQPXHnr8NcwM9ynusv4R7Cj5cjBLAtShmvzvwiT9mYPy/PLDrv8cA67+NdMK/5hamu6+I9z8OLqS+TO3Qv8aNSj8ue/I/c8gHP3lL6z+kBtU/Ce5Cv6sOdL6Ho0jA/20XwKR7or8eQ0g/ZUu9PxKU1D8aBc8/qLoWwDfUtj6nAirAl7gOwBPKwD/t08o+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 509409ae500a2b74160e5a2e60386124
username: gastegger
key_value_pairs: {}
data:
  {"energy": "o7K/ww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "aK9evg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "2ZOAPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "qnyPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "NPQnPxkcRT6pamK+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFg+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Ec9HP3OBrj38t8693pynvqIoVj2wvpe/0rCrvwqVWr66y+G9F6uLvrtWO78SYUg/oxVev4HbFj+5B4s/KSJ2vgl5Yb9e7+C/xpvXPn4Tqj8pUj4/QHqAvvzLA8DpiLo/4/LCPjlcE0Bmono+YcMfvexSN8BWyz4/Nx4KQArucr56iJ2+3r+IP0wusj8Hos8/Z4jQvxnzWj9DYOc/ajctQLlHFj/Rgge/ozcXvxWhmj8qjAjAUAQSQJrDZr8MUIi/Du5Jv+kJCUB/Ds2/mPGJPvqsrj+/0jLAORIFPyi6BcA99A5AaQqcv1YQEcDsAvY/Nfi6v7JYfj+RtzDA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: e4375a9fac665ab68365461446e0ec24
username: gastegger
key_value_pairs: {}
data:
  {"energy": "Xdfoww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ZF18vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "fa2LPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ERqhvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "dR8AvgmnhT6PjUi/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AFw+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABwAAAAAAAAABAAAAAAAAAAEAAAAAAAAACQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "/rXPPhixnT0MRo0+qzAsv5QDdr/zrho/SrqZv0DBn7/89aK+GQh8vmFupT+6y0W+HYuMP/JC7L3xmou/OLniPpM0nT/FjLy/GPXEv+wk874lzdE/QqmUP656A0CLM8a/n5w+PxGaeb8a9dS/cwkhvVqhB8CHN4U/SXypP8yLqz6rs7o/TOXevyh5AT9cQLw/EQYMQNi2Ab6SPYi/ieEawM7Leb+d+tI/VlkCv/bNoT/6lynACpJAP1bNLz9PeBRAI+Ocv83b4D74bSbAjZ6Iv0MbDUDsayrAsS3qP3WBF79T6t4/Y6IEQC8yiz9HPpk/vGFBPWG/lz9AwWXA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: acf645e739ba9301fed86353318a8cdf
username: gastegger
key_value_pairs: {}
data:
  {"energy": "5EPvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "19qDvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "Oey+PA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "m8mPvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "uaXVvfQ38b6tTNg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGA+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "GyFPP+GsgD7M6z2+0tnKvpTbHr/JRg+/mbf/PWlNsT9ZnSU/xWQGvzzx3D+kBDi/jRYMv/hpiD/VD7o/OTK1v5dJ/D7HU3K/g4cSwPCW6z5nIJW+xQ9RPyNioj9N0q6/7tbgv8+yzj7ff/2/oTZuv9FhsL/0uQs/eZ50v6N6LUBOZ2a/Fgt7P4P5GkCHAoo/HABJP7g7Xz8inRjA57wovhV3qL/sDK+/EtPNP86OAEAJDaK/meqivsTMIcCh61s/RCjaP5VVib4mVxw+Aq82PzzzPcCehok+3I1avzZaQMDBsdc/QcrFP2jRBEAhZuM/pCp9P6JCd8DCfCo/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 7a6eed728c6d1608808b9200b98db418
username: gastegger
key_value_pairs: {}
data:
  {"energy": "pEXvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "cXZrvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "qFOevA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "/KtXvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "8zyYPqK0k782q46/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGQ+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "DeqSP4pihD3Lc+Q+wSxXPr90wz7xt8k/oRqsPk0+7b7Hvy+/qpKRv5h5+r7auZG+Nvqdv/PbmD5/MIY/tBdYP4hQaT8mIz+/RZPmv9Vrir4JTuU/pbYHP9FfHD8R4i1Aa+gKQGT+aL5byCc/sQzuv9I52T9uLm4/TA66v+iDw7/svRG+QgGqv+jgEkDm7T8+OcdfP0W1wL9Hy8+/5KvWP3z1cT/3e6q//zXhv8DBer1+d4m/OJjov0euDUANTvI/1Sc6wDZ2zz+XFiE/WxgsPypQIMASwZq/leH7P4Pbsr/ifNq/WiN1Pkazqr8OgTjAwGToPguSBcA7NlzA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 966fc344849d5bf69d1f5902a50882ac
username: gastegger
key_value_pairs: {}
data:
  {"energy": "t53Bww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "kgZ3vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "3C2JPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "wM6dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "orSnPqIoED7FPcY+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGg+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "oc9NP3IbEz5OtUi+aVG0vpU0Rb/8zEc+j2YivZE8qD/7zNA+v+BRvwTMYj6/l54/AaCHPwspJT7utsu/ix3Sv1LYHT2VEIO8UkHuP2J3Kz/LjeC/caSwvq0/EcAj4G4+5kKGv3hH0j1PchJAipwFQJUp+r2PRhU/uKuMvl7IK8AHF0e/vZKhv6U/tj/uFgm/ZcfpPjywDEBgvE4/eYzzP0S7JL5taNQ/fIkiQKe7iL/+C4s+VT80QFo5LT/4G8w+iAkAP+zrKcAGPFA/la8lwPyI9L6FU+q9dlWHvxexxj8uCs2/KYChv3j9KcDCdTA/DgL8v5CsC0CWV0C+", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 324466ebe992eeeb889dc087489da9f2
username: gastegger
key_value_pairs: {}
data:
  {"energy": "ky7Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gnN2vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "bjKqOw==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "FcV7vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "nDPivclZWD01RgO/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AGw+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAABgAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "rcaHP5GR8D23qb2+ev69PQYXXT6PwMa/BFNDvzIRbr/AOr+/Y3fAv0NHRr/rtgXAz6AzPyEnPj4xMh7ANDHhPoaQpD7DL2M/u+w1v0givj9Cr8S/oMlsvSNaVr/Uvb8/8dhZv2d1qr+yFXI/xlwBvjsrTb+lQT9AFm7IP6VaW791Nc2+oaNjP8Gg2L+aNhNANpWBPjc/wj1Kxl1AwVz2P2jgr79o3hVA0/V6v7dXoL9Mul5ABimhv98F1j8U5B2/u2XoP5k3Zz+t1vW+VaBIv1M+FUBuzyPAbvo9P4gOMcAS0BNAWUNxvuc3CkB12F7AMTyxv9j3TkBsFCHA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 5b13bbb39d192a854497d0440496c0c6
username: gastegger
key_value_pairs: {}
data:
  {"energy": "uOkAxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "TyOFvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "ea2EPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "J26Nvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "WByav85Tfb78bx0/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHA+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "CAAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "Hju3PkzcLzz1PAU+3rYjvw/i3b42+4Y/SYvnvxJRfb/ORpE+r+0PwBtY2b7lpoW/QW3QvwKP5L+Y0n2/73nSv9a5vz4wGby/QMInwIMKqb9ttWw/9v2/P/ZYCT8sxR8/VSftP/LINj9WH+o//PsbQMSScT/SCPu+ziZ0vyES0z4MTNc/ir0gv30V879vGrK/ri9nwIcLw76j06y/J87zP5Rx0z/HVZK/NoxUvoagmb8yLts/NiEpQFu6VT2qNI2/nKcSwCJBKMCbYZK/zqNnQF6QwD/Usx07ZWtiQD8KvD8ZKng/4F+WP09P1T7TkCFAr3p/wIt/zT5go2+/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: f9728298c273df2b287e8f719c70735d
username: gastegger
key_value_pairs: {}
data:
  {"energy": "oaoYxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "gZRYvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "tAHYOA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ga9Yvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "7FE4vYWxlb50Rly/", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHQ+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAACAAAAAAAAAAIAAAAAAAAAAEAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "pJgmP5jNi77pABG/ZTm8vrK0rb+FKyK+aODWvz5wcb80n8y+LVDVv93i6b71TZ6/9+mbvtLfy78LTWk/9DxkO35VHsAZpXC/8m1Hvy2RaMC+BzS/tkLrv2rZXMDVcWm/zQ8tv3IzfsDHnqw+9bzOvmQyjcA/PK+/cvn0PmMvfD/B22E+nrgWPlHdDUBHQRK+6Fk3P97RUz8OusY/XkzoPuXxGD2n0Pe/lNWAvalsI0BhVpK/J8MbPhkjREAy44s/3+HrPkoMCUAvEApAuZkMPzJRTL+1WBrAvntqP/TkdkD9ZYk/+R3UP5EELb8nhsW+Q0lSv86oYUCzPag/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 99f4912d7638418ccf87e070ed73cc24
username: gastegger
key_value_pairs: {}
data:
  {"energy": "R2UPxA==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "SKl0vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "kq9EvQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ZH1Dvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "e2vAPk/psL4zbY8+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHg+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAgAAAAAAAAABgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "ka2jP3a1o75+pNY9RmUJPj0vLL9U+4o/JLa2Ps0JAb9gKJK/GzVJv7oyV7+3Zy++rQgcP1X/gD9apK2/PuOvPx6vjD/lwvO9v3MFP//flr+Pdf2/JFsHvg2oEj6YEuM/OvPyvz2Tob8JJaS+S30Lv0it/j9RpK+/Iqu+PpRg8b95U98/TeUvv5cwEsBlpiZAjf0OQED+Ub/Iv4Y+KcSiP9zhmT/rVQ3AiyLPv9efHMAyOQNAaC9dv7jGw7/8jFhAlmaevwdp4j92swu/SgfAvrX2TcBbtURA4DmNv+kY8j9hxRPAjvWIvVheVEB/b6e/VpztPg7+WEBmkgG/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 94f0bc10890c6f007abe0348d0dc6731
username: gastegger
key_value_pairs: {}
data:
  {"energy": "3a7cww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "jNxjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "7tGbPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "ylZ3vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "B/A2PgBXsj1f0tg+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AHw+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "tWYsPyLezT37ipY+czkJv53/PD+u9fS+QNMQviZcmb+KG/A+QXVQP7FYbD9kQ80/Mo6Ivq8i/D/K58E/7hV5v63Y8D9308Y+hQCqv7uqEr/5P26+otDZvspBLUCe0hJAeU82Px4SmT6VCiBAPN7wP4hl/zzYoeG+unAvvzKX378pw0C/11DBvk3wgD9eX8O/6WUeQDxgFb/Rzqc7ql47PMOk5b8ZOALAOSAWP78eZr/RdBLAsdXlv+cnIkAAPO09LjUYwP5WHb89Xh49FufrvX836r8jNa0/FTvoP7+yrz8ROtI/u+YyPy9EKcAXZwHAzKI7v+cF/b+UMTTA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: eef9d6b25b3998fbdd90b081fb923d79
username: gastegger
key_value_pairs: {}
data:
  {"energy": "1S7Uww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "c/Z+vg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TS9xPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "I6Gdvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "/ABkPktZhj/Fj4E+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIA+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAACAAAAAAAAAABAAAAAAAAAAgAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "iVdgP0+ZHz2xu3a9yPqovk4c3L5WOk0/H6thv+/Mgz+SbVI/7fYsPuxssz8VwJG+nW4CwD7MpT/QVCm+GuR/v9OHuT+9rqi/EdJovwNDvz+xv+c/AvwxwC9b/z4ODYi+WCIkwGaxDkCfWzI9diN9v6J9j79iNYk+SxPcPxH7VT4YbCA/BSGsP+B1V79KZJq/IcJKPyvsEkCgmHa+6lCAvzOuIj/q+QLAZ8eIvwjaGEB0Z++/rPYkvfc6iL/DxAFAqnMXPy4xYL/1BADAo2fEPwI0DMCUyEy/h+3yP9JaDMB72bs9QdEQQC1q277HwNO/m2f6PqXK674p2SNA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 107d4c940224214d9bad257d21c448ff
username: gastegger
key_value_pairs: {}
data:
  {"energy": "RDrvww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "ozxjvg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "PgTVPA==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "K919vg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "1ewJv0dVk77SxoG+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AIQ+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAIAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAGAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAABgAAAAAAAAAHAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAYAAAAAAAAACAAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "m53fPh5dJD6498C8VJ6mvq2miD8FezU/anykvkcLTr9IsWq/hObpPw8hGD+BCOa+5OrUPzG6sL5E7zY/OmUGQJIgzz/0jl2+m/AOQGP1Zj6WK7G/SVn3P7MHsb/kCQo/zxBdv3eQCkDjJ6W8yum2v5VDur9BZ1y+Ow3/P1ySuj2T8QJABdLOP10Vgz/FKQxAg0DJPiEjy7/LVpy/3MnRvyXQ6z9aVji/+4aovak8LEBLRRW/k/HAP0sH/74U9S1Apqelv3MCNkAEFDg/CGYWwA7NAMBStqM+7q5Gv+Ch0b2PDgXApGC7v80LIr+9uB/AmTxKwHzmH8Ah3E4/", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


unique_id: 1f0d8c753d10f9b889c87089f1d19e71
username: gastegger
key_value_pairs: {}
data:
  {"energy": "x0vSww==", "_shape_energy": [1], "_dtype_energy": "float32", "homo": "7Z4svg==", "_shape_homo": [], "_dtype_homo": "float32", "lumo": "TfZPPQ==", "_shape_lumo": [], "_dtype_lumo": "float32", "gap": "gJxgvg==", "_shape_gap": [], "_dtype_gap": "float32", "dipole_moment": "sAMHPyHlRz9kWCU+", "_shape_dipole_moment": [3], "_dtype_dipole_moment": "float32", "mol_idx": "AJQ+Rg==", "_shape_mol_idx": [1], "_dtype_mol_idx": "float32", "_atomic_numbers": "BgAAAAAAAAAGAAAAAAAAAAcAAAAAAAAABwAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAAGAAAAAAAAAAYAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAAIAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAAAQAAAAAAAAABAAAAAAAAAAEAAAAAAAAA", "_shape__atomic_numbers": [21], "_dtype__atomic_numbers": "int64", "_positions": "BJiAPy3YCz0f3hC+FTh3vpB4mD2KoEw/32Sjv4cRbT/Bhko+DBEYP7nO4b6nw7e/WC8Kv4cEPz7djfy/7GWzv5tVXj8pUJq/+Semv2TW7j+W4RI/dMFMv57mq786F30/ZLAkPsmsLT9qQAlAdMeYv5EF3b+AST0906y0P7oeiD+xHz++TRyvP0teDr/lwQTAKm0SwDjGqT+wZ9C/UmwBQE1qWb/62Jo+sO0mQJ35t74K7mI/FrI2v/niED1Q8EHA5MeIvAdpAcCurKo/SnTOv+6Oqb9dB9w/5qMdP1uE1T/tBQFADWJgPxaMDz0vYipATNM3vw64ST+JVDJA", "_shape__positions": [21, 3], "_dtype__positions": "float32", "_cell": "AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA", "_shape__cell": [3, 3], "_dtype__cell": "float32"}


