# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b5b176d2-0543-4a69-b8a2-a721cc5c6673/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 Ga4GeS4 / Pa-3 (205) / materials id 531297](https://mdr.nims.go.jp/datasets/6854eed0-770a-45bd-bf91-91e056b2783c) ## Fulltext elements: [Ga, Ge, S]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: [69.72, 72.61, 32.07]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: [-6.257038461646624e+01, 5.584821811376387e-01, 3.811065540072890e-01, -1.981326264467774e+02, -9.091644008439654e+01, 4.687449663099075e+01, 0.000000000000000e+00, 5.663309124898582e+05, 2.022683624991458e+05, -8.051480669952417e+02, 1.155182283891654e+03, 0.000000000000000e+00, -9.573013327698271e+05, 5.785982274904735e+00, 1.160444069613084e+06, 9.837102278806591e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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