# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/82f2157f-5399-4656-9d03-719bf59364ba/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 PrSbO4 / P2_1/c (14) / materials id 13194](https://mdr.nims.go.jp/datasets/6df9fbeb-8e48-4233-9adc-d59cf24a7450) ## Fulltext elements: [O, Sb, Pr]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, 121.8, 140.9]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: [1.841183310748720e+00, 4.574434981268397e-01, 1.431645837133493e+00, 9.447402711045785e+02, 7.703720174843432e+02, -1.331340026377524e+04, -6.302784454919856e+03, 1.066944630862620e+03, 6.460016123298683e+03, 9.531650439124212e+00, 1.251709497302349e+02, 4.576385916807040e+05, -3.966645010664805e+04, 8.277906758215443e+02, 1.594166680908514e+06, 3.252234430127363e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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