# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a768c20f-89c3-45f5-a2b1-301ba74047dc/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 SrTeO4 / Pbcn (60) / materials id 4274](https://mdr.nims.go.jp/datasets/a7eefe8f-abf3-4166-88b9-471e5ea7dece) ## Fulltext elements: [O, Sr, Te]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: [16.0, 87.62, 127.6]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: [1.926367124030028e+00, -4.562691383734783e-01, -4.111991402825291e-03, -4.159298000321998e+03, 4.595472164352614e+01, 4.960297348862282e+01, 3.574124853906852e+03, 3.063103242010621e+04, 6.531675411938619e+01, -5.844203463543492e+02, -2.266531521353417e+02, 0.000000000000000e+00, -1.643265023834705e+05, 1.103440471874978e+01, 1.429888688352180e+04, -2.688903413643333e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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