# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d740bca1-c555-45ad-a74f-517bee35cbf0/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 CdSnO3 / R-3 (148) / materials id 754329](https://mdr.nims.go.jp/datasets/71069dc8-3a69-4535-a0dd-edc2f9c06221) ## Fulltext elements: [Cd, Sn, 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: [112.4, 118.7, 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: [3.331594793996577e+01, 1.403805947604531e+01, 2.780438145213935e-01, 6.538061705948085e+01, 1.364774801084046e-01, 1.612710504445426e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.217246792093104e+03, -5.782042097379648e+05, 1.387616575501803e+04, 7.370065269848518e+05, -1.352226844241747e+03, 9.020951704089018e+01, -3.624854446694917e+02, 4.220435209287660e+03, -6.777058984698305e+06, 6.193587158242683e+03, 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