# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6a42f029-c33a-4328-92f1-cdd85b0ccdfb/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 BaClF / P4/nmm (129) / materials id 23432](https://mdr.nims.go.jp/datasets/ecca3940-0305-43e5-8897-c3a1a2e7971d) ## Fulltext elements: [F, Cl, Ba]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, 35.45, 137.3]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: [5.826194763222080e-01, 8.331403166702327e+00, 1.058478933443475e-02, 5.931446311119868e+01, 1.045845808644955e+01, 2.017946489655094e+04, -3.268306706862653e+05, -6.078664972907332e+04, -4.780596409167532e+02, 3.169745060910456e+05, 2.202791159229262e+04, 0.000000000000000e+00, 2.019791767934366e+06, 3.003542109930100e+01, -1.315827552979095e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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