# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/37cb4ef4-f0c4-4506-af68-401c051a42df/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 KCaF3 / Pnma (62) / materials id 5926](https://mdr.nims.go.jp/datasets/b294fb12-7c2b-48c7-9df0-c1fd276f3c85) ## Fulltext elements: [F, K, Ca]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: [19.0, 39.1, 40.08]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: [1.671999384096384e+01, 4.652510742262244e-01, 1.979425419197394e-01, 5.869964391453791e+03, 7.162817315485385e+01, 1.279506903578221e+05, -3.687229793307825e+04, 4.768576184358920e+04, 3.868140246145610e+03, -6.043238713111604e+02, -3.443297150336636e+02, 0.000000000000000e+00, 7.171644311666173e+05, 2.689712624320507e+01, 2.457151718386554e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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