# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b3267442-0c9f-4adb-bdd3-8bfee9e79e36/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 Ca3InP3 / Pnma (62) / materials id 614572](https://mdr.nims.go.jp/datasets/b7e975dd-6b1b-4d50-bad5-4489689d0e5e) ## Fulltext elements: [Ca, In, 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: [40.08, 114.8, 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: [3.552188171709187e+02, 2.775490890036067e+01, 1.516386803471833e+01, -1.254549642175280e+04, 1.388472894602474e+00, -1.299743500284157e+03, 0.000000000000000e+00, 0.000000000000000e+00, 8.121495862515003e+04, 1.680063481707880e+05, -1.643863691827100e+05, 0.000000000000000e+00, 7.416305805596991e+03, 1.127085656933165e+04, -3.186046629342533e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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