# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4ce2297f-e2e3-4234-9c11-1e2057d2eb24/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 Ba2H6Pt / Cmce (64) / materials id 643253](https://mdr.nims.go.jp/datasets/84ca681f-9eb9-4647-a585-f487afc6c6ca) ## Fulltext elements: [Ba, H, Pt]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: [137.3, 1.008, 195.1]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: [2.958329581022637e+03, 1.300895299851475e+00, 1.446928036821751e+01, 1.923632377175215e-01, 1.937543995147243e-02, -7.383872033706852e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 7.696603166938401e+02, 3.684971934240611e+05, 6.435289096090040e+03, -1.406008383087502e+02, 0.000000000000000e+00, -1.231066984564447e+03, 0.000000000000000e+00, 7.337636481271720e+01, 7.516481009204674e+00, 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