# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6336afda-28e3-40e4-8388-96e0b2210eb6/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 Na3AlS3 / P2_1/c (14) / materials id 560538](https://mdr.nims.go.jp/datasets/a948b337-6bdd-4332-8bd9-c36006fcccde) ## Fulltext elements: [Na, Al, 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: [22.99, 26.98, 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: [-2.061701785893593e+00, 5.366539519327254e+01, 7.887080299025200e+00, 2.775497211562530e+00, -2.431089130003630e-01, 3.635869731696384e+02, -7.727190936950868e+06, 0.000000000000000e+00, -3.456031146106946e+05, -8.042505110713269e+06, 1.170253626203096e+06, -2.272618885337776e+05, 3.364125130271176e+04, 3.966366819874243e+03, -4.934065213945021e+03, -3.652367487784008e+06, -2.886999213538525e+05, 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