# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/280c171c-ae9f-4cee-b2e7-b5e000bdd942/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 Mg3(PO4)2 / P2_1/c (14) / materials id 14396](https://mdr.nims.go.jp/datasets/a8385278-f65f-425d-8a5b-090f1f8ebae5) ## Fulltext elements: [O, Mg, P]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: [16.0, 24.31, 30.97]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: [-2.437343160030686e-01, 6.057848442025778e-01, -2.481499195507743e-01, 4.805804409479045e+01, 6.546438071271695e-01, 1.326464746290499e+06, 1.743080356346324e+03, 3.185566121002818e+03, 1.456271939524995e+02, 3.084687741385391e+01, -9.295126450171612e+01, -1.807366021590847e+03, -1.301505064904038e+03, 3.488242835650043e+00, 1.477831364821756e+02, 0.000000000000000e+00, 2.223148952917045e+06, -6.178784760366416e+05, 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