# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a150d02b-a948-46d2-9e6d-aca2ae47612f/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 LiSbO3 / C2/m (12) / materials id 756951](https://mdr.nims.go.jp/datasets/52317112-f3c1-4b7c-b80e-282d9362fade) ## Fulltext elements: [Li, Sb, 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: [6.941, 121.8, 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: [4.113772363066649e+00, 5.233922381016366e+00, 2.307227082414481e-02, -2.365520606012117e+00, 6.971179996637572e-02, 9.013583188956866e-01, -6.089078861576226e+04, 5.518390720231653e+05, 2.576788874798533e+03, 2.071057720573043e+05, 6.018304571409731e+02, -9.605807598434378e+05, -6.577084418003661e+02, 1.078353823467394e+01, -2.390556963470616e+01, -1.310878819056165e+03, 1.484925459595598e+06, 1.036192575709965e+04, 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