# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/90c4d0db-8597-4efc-b200-42311ef0f6fc/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 SrCO3 / Pnma (62) / materials id 3822](https://mdr.nims.go.jp/datasets/37c9cd4e-360d-4164-b4fc-5b48b73889ef) ## Fulltext elements: [C, O, Sr]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: [12.01, 16.0, 87.62]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: [3.351581055122016e+01, -1.170179822758174e-01, 1.305815930911329e+01, 6.744553687845816e-01, 9.530960358875917e-01, 1.044039578709636e+04, -1.487086017247247e+05, -4.541142448221474e+02, 2.891971461861989e+05, -2.848041014896704e-01, 2.260933766305990e+02, 7.765719204561634e+00, -1.416741739569908e+02, -9.360119744159560e+03, 2.946116647641323e+04, 0.000000000000000e+00, 1.970990358222131e+01, 1.155738439528459e+03, 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