# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/57158af2-3529-49ab-b7cd-ad6401195075/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 K2PO4 / P2_1/c (14) / materials id 555840](https://mdr.nims.go.jp/datasets/13e72fd2-f9db-4b38-9337-f90f4cbf1999) ## 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: [4.022293755835671e+03, -3.125814147842316e+02, 5.579169117011466e+00, 2.648312045154933e+04, -5.077182253248315e-01, -5.535053238635782e-01, 0.000000000000000e+00, 0.000000000000000e+00, -2.842654427244564e+07, 0.000000000000000e+00, 1.298457555620408e+06, 0.000000000000000e+00, 8.382377222572559e+03, -3.262411071461263e+04, -3.054247742237138e+03, -1.266101602396343e+03, 0.000000000000000e+00, -2.266732127428557e+07, 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