# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a1946c71-3e63-428d-a9e9-3e994bfbfc1f/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 La2S3 / I-42d (122) / materials id 32906](https://mdr.nims.go.jp/datasets/46f69101-89d6-4ba4-913b-711e806faf15) ## Fulltext elements: [La, 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: [138.9, 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: 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: [-3.112987372267063e+05, 4.763883880942043e+01, -6.133319685878175e+02, 0.000000000000000e+00, 0.000000000000000e+00, 2.431164333891094e+05, 6.232749922706328e+06, 8.884669572275949e+07, 0.000000000000000e+00, 0.000000000000000e+00, 8.109265032520167e+05, 1.552810440531261e+07, -1.589334064161700e+08, 0.000000000000000e+00, 0.000000000000000e+00, -9.862889648119431e+05, -1.307797564831489e+07, 3.790243005631621e+07, 0.000000000000000e+00, 0.000000000000000e+00, -1.063363944166942e+06, 1.253517608972852e+06, 1.331149423777749e+07, 0.000000000000000e+00, 0.000000000000000e+00, -2.416029832756755e+05, 9.905192199907096e+06, -6.570752535467137e+07, 0.000000000000000e+00, 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