# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/693d885a-3a26-42d5-87b5-682efa073fce/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 CaTa2O6 / Pnma (62) / materials id 18229](https://mdr.nims.go.jp/datasets/e1a70694-a587-47eb-a640-5d6a6a6857d8) ## Fulltext elements: [O, Ca, Ta]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, 180.9]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: [1.220077399948089e+01, -1.663126247283444e-01, 1.817292333179709e-01, 9.780928371292526e+03, 1.754801787336642e+02, 3.883187118807306e+01, -2.517426062681639e+03, -3.330058540582233e+03, 6.663129402323590e+02, 6.916464984767394e+01, -7.450825246669607e+02, 1.640860284139492e+06, -9.788231923109190e+04, 5.049831459016981e+01, 1.412922882191387e+04, -6.630838141409487e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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