# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a0795a80-91c0-4377-8404-7c5ef8679fde/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 Bi3ClO4 / P4/mmm (123) / materials id 29558](https://mdr.nims.go.jp/datasets/451d00fc-0062-482e-acc8-da1a4c879f8e) ## Fulltext elements: [O, Cl, Bi]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, 209.0]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: [1.205301375810444e+01, 1.665373609072938e+02, 4.457653706957713e-01, 8.180129848763412e+03, 2.733591536848390e+01, 5.299503131669829e+03, -2.851454173515234e+04, 4.383461093572516e+04, -6.631375487950547e+02, 0.000000000000000e+00, 1.555506736988863e+05, 0.000000000000000e+00, 0.000000000000000e+00, 3.801643401893919e+01, 3.681911464870954e+04, 8.386019242138072e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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