# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/36c63480-cc56-4e9e-b290-279edd5489ec/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 KSbO3 / Pn-3 (201) / materials id 14607](https://mdr.nims.go.jp/datasets/2c5cbaea-3980-461e-a23f-4a0c95a715de) ## Fulltext elements: [O, K, Sb]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, 39.1, 121.8]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: [3.809935213087797e+00, 5.452756007078670e-01, 5.882162927611734e-02, 1.460535313049916e+01, -3.169086151199233e+01, 2.141960065127297e+01, 7.858487514676522e+03, 2.165752932003577e+04, 5.117670481589780e+02, 1.214995945810643e+03, -8.595494042503258e+02, 7.991476733194021e+04, 9.261015190294735e+05, 7.320150117220472e+00, 3.401764796530141e+04, 8.021756596795033e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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