# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0253ca97-1f9c-47af-a1f7-9786904730d5/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 KPO3 / P2_1/c (14) / materials id 557880](https://mdr.nims.go.jp/datasets/9f8f77aa-dac2-4a68-8956-5641b22ec353) ## Fulltext elements: [K, P, O]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: [39.1, 30.97, 16.0]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: [-1.717079412652160e+02, 6.632878614060385e+01, -6.516285933735995e+00, 2.866683678328103e+01, -7.871829969283192e-01, 7.794491546496413e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.799340609903590e+07, 0.000000000000000e+00, -6.618798018106541e+06, -6.551074442747145e+07, -4.591010067708522e+02, 1.700110936494865e+04, 6.102093750498247e+00, -1.394043373570011e+04, -2.546517012736484e+05, -2.637908349492523e+02, 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