# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9edf296f-9e12-4ad0-888a-0ac55a1e7f64/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 BaTm2F8 / C2/m (12) / materials id 7693](https://mdr.nims.go.jp/datasets/e1c6ccf7-c956-4501-af9f-ad554d09c9d0) ## Fulltext elements: [F, Ba, Tm]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, 137.3, 168.9]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: [9.238360728350278e+00, 1.658369356626177e+00, 1.000378039470762e+00, -1.614547099365987e+05, 3.288495807403780e+03, 6.122249045474123e+02, 4.797938412001847e+02, -1.072935321266795e+04, 2.591352313246382e+03, -1.291962501505164e+04, 3.129249480558708e+03, 0.000000000000000e+00, 0.000000000000000e+00, 4.988635797858477e+01, 8.817411211317899e+06, 8.384451436482059e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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