# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f6c6182e-86ad-4651-aca3-a2cc47e9e164/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 TaInO4 / P2/c (13) / materials id 8979](https://mdr.nims.go.jp/datasets/297aa8d4-4d95-46de-9a63-5fba1ee3ae07) ## Fulltext elements: [O, In, Ta]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, 114.8, 180.9]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: [2.800993487565778e+00, 5.179459864700867e-01, -1.689025800614496e-01, 9.353352263846804e+01, 2.776933855260513e+03, 2.054801420285494e+02, -2.146272009863968e+03, -2.537594421163074e+03, 1.104976174150633e+03, 7.441163530500411e+01, -6.983273948966767e+01, -2.446148982292199e+03, 2.999746123944607e+04, 4.793574176786363e+01, 3.967203081375908e+05, 1.953980154079858e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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