# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/145c0970-f254-457c-b9c0-6a05ed2f5ad9/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Sb3ClO4 / P2/c (13) / materials id 29591](https://mdr.nims.go.jp/datasets/423bfa47-5a21-4ee9-b372-cacdd6847bdc) ## Fulltext elements: [O, Cl, Sb]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [16.0, 35.45, 121.8]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [-1.710655916942129e+00, -1.578332078383396e+02, 6.076349874035426e-01, 2.433861024522134e+03, 3.157868067580366e+01, 1.551073647963877e+03, -1.930977455587172e+04, 4.587576413737981e+06, 8.243473146199919e+02, 5.500485404626039e+06, 5.279051971908951e+04, 0.000000000000000e+00, 6.416034269208515e+06, -2.564275745952680e+00, 1.256220824146424e+04, 3.851642144071383e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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