# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5f150008-070d-4c6e-a756-03ff91524da4/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 La(BO2)3 / P2_1/c (14) / materials id 561154](https://mdr.nims.go.jp/datasets/552539c9-bc1f-4e8b-b13c-cf2d51f4ef90) ## Fulltext elements: [La, B, O]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: [138.9, 10.81, 16.0]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: [3.682547211108309e+03, 2.140741190029636e+01, 7.580409985658069e-03, 3.668555322174314e+00, -1.316934414129526e-01, 2.591700679932693e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.514334560656796e+06, 4.222852128297476e+05, 2.763949579590011e+04, 1.696909963861776e+05, 3.484363409752755e+02, 2.936062043164959e+02, -2.727597000293613e+01, 1.104990416434408e+03, 2.276639192212369e+03, 2.598061784246664e+00, 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