# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cc914bcf-0eb2-4e0a-ba42-cf7d37fc696a/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 Sm2Se3 / I-42d (122) / materials id 32594](https://mdr.nims.go.jp/datasets/db9b3e53-8476-4024-973e-a04603af4487) ## Fulltext elements: [Se, Sm]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: [78.96, 150.4]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-9.400038779014889e+01, 8.502214048368171e+01, 5.957093966760569e+04, 1.576600802592825e+08, 3.869642401243181e+06, 3.234532704350553e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -2.087616043391652e+07, -1.530677817743619e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.371686442193542e+07, -1.890536665745994e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.586768137932456e+07, -3.780249115509388e+07, -3.607012079852500e+04, 0.000000000000000e+00, 0.000000000000000e+00, -1.194319807565903e+08, -8.151879918517922e+06, 2.222409359295166e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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