# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4c6cdd58-c13c-4419-a482-f616a56c2434/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 CuSbSe2 / Pnma (62) / materials id 20331](https://mdr.nims.go.jp/datasets/b0565206-16d6-4e81-95d6-57bc8ae5350f) ## Fulltext elements: [Cu, Se, 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: [63.55, 78.96, 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: [-2.155939991978713e+03, 1.156884665579858e-01, -4.166992168318097e+01, -7.889033888963394e+02, 2.392741476299499e+00, -8.279735370627836e+01, 0.000000000000000e+00, -1.350004166632858e+06, 0.000000000000000e+00, 1.193743273598827e+02, 3.999346115997051e+04, 5.594391053508082e+06, -4.813615387044300e+03, 0.000000000000000e+00, 4.475924063018944e+05, 0.000000000000000e+00, 0.000000000000000e+00, 2.490923196433518e+07, 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