# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e7b29ba8-6b32-40d9-969e-68fe44ce77ec/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 K3InP2 / Ibam (72) / materials id 20256](https://mdr.nims.go.jp/datasets/0273c5f4-a326-447f-846b-287c5bff8eb8) ## Fulltext elements: [P, K, In]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: [30.97, 39.1, 114.8]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: [3.298797126327700e+03, 2.365764613507732e+01, 4.251565416163888e-01, 1.513748970783744e+03, 3.436589175600725e+01, -5.050251170981002e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 9.108984958316122e+04, -9.604321722379148e+04, 0.000000000000000e+00, 0.000000000000000e+00, 5.074491773238343e+02, 1.271824557459154e+05, 3.069322878612274e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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