# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e00f1536-8fc2-4c6c-af91-a82182e41dd8/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 NaSbO3 / R-3 (148) / materials id 4482](https://mdr.nims.go.jp/datasets/fcb4616f-f7e9-4df5-81b8-c09712fb631f) ## Fulltext elements: [O, Na, Sb]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, 22.99, 121.8]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: [1.472289489256469e-01, 1.425409859772482e-01, -2.054207687575248e-02, 8.534670123405437e+00, 1.398823236950048e+01, 1.166655403600629e+02, 5.403026116344212e+03, -3.157630034798310e+03, 2.827465227106813e+02, 2.746563544882733e+00, 3.754080268228013e+02, -2.302192078714258e+04, 6.774189462563661e+03, 6.852828609148534e+00, 2.648052468255517e+03, 8.420899763039104e+02, -4.505508899609788e+05, -5.755395139036261e+06, 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