# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3d1b7246-5368-40fa-9795-260d65249259/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 K2B2S7 / C2/c (15) / materials id 4351](https://mdr.nims.go.jp/datasets/4f58a955-0c6c-4e53-99dc-dd12e6332529) ## Fulltext elements: [B, S, K]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: [10.81, 32.07, 39.1]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: [2.265001893478304e+00, 1.808132711817776e-01, 3.220249538352993e+02, 4.795614301488741e-01, -5.834875580870857e+01, -7.330371676241749e+04, 3.192122043383677e+04, 1.629673784548613e+03, 0.000000000000000e+00, 1.049936744783090e-01, -1.698383967017844e+05, -2.350546878167972e+02, -4.203152988714583e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.098845027419761e+02, -9.404377159798049e+04, 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