# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8d679553-bfe0-465a-94e8-3f4a8f845d9f/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 InBiO3 / Pna2_1 (33) / materials id 556892](https://mdr.nims.go.jp/datasets/59543647-b39b-4280-8d09-29fa2f65dcc1) ## Fulltext elements: [In, Bi, O]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: [114.8, 209.0, 16.0]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: [1.651650326620386e+04, 1.756765298275397e+01, 3.293550631777488e-01, 5.306009644916747e+04, 2.477466512435083e-02, 5.213782636048397e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.450086046467780e+05, 4.653997175186986e+03, 0.000000000000000e+00, -2.140353789464142e+03, 5.896631880958132e+01, -9.127702693925698e+01, -2.352810518929505e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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