# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/706f1b45-7d1f-4898-ae05-16ada7062ea5/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 CaSnO3 / Pnma (62) / materials id 4438](https://mdr.nims.go.jp/datasets/eb9a1562-8871-428d-864e-d618309c436f) ## Fulltext elements: [O, Ca, Sn]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, 40.08, 118.7]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: [6.702877553472849e+00, 1.897482525593942e-01, 5.930983380500097e-03, -1.642184645608078e+02, 5.720620412398019e+00, -7.445418786223312e+02, -3.045842033470756e+03, 8.949140145842610e+03, 3.439248889674809e+02, 1.124380812811443e+02, -7.661422416529278e+01, 7.181369981215124e+05, 1.200377648670004e+04, 4.513483516033590e+00, 1.354622693853686e+02, -4.291310889551095e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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