# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4f671336-2069-45d0-afcf-fe0dc7c07107/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 LaSeF / P6_3/mmc (194) / materials id 7738](https://mdr.nims.go.jp/datasets/ba70316d-6822-4cde-9123-7be9cf75b86b) ## Fulltext elements: [F, Se, La]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, 78.96, 138.9]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: [1.242076505983524e+02, 6.118396425100211e+00, 6.157053635953084e-01, -8.730762219953826e+01, 9.009556740147847e+00, 2.072053343912186e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.657851819699192e+04, 8.688652466507423e+03, 0.000000000000000e+00, 3.809595098981425e+04, 1.555406834546317e+02, 2.265587392244912e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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