# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/15205afe-e86b-475e-be1f-05768755a6e8/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 SbPO5 / C2/c (15) / materials id 9750](https://mdr.nims.go.jp/datasets/40a35ab0-2f23-42ae-8d0b-16f7ca127835) ## Fulltext elements: [O, P, 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, 30.97, 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: [-2.230786822979937e-01, -1.366633516559592e-01, 2.596589295357631e-01, -2.403069920440009e+03, 6.318541749800667e+00, -8.194835348263992e+03, 5.454661196844272e+02, 1.461036200350525e+02, 7.474013708746786e+01, 2.246537392982523e+00, 1.387553014721029e+01, 3.862843900952725e+04, 6.795223245738738e+02, 5.424027928774551e-01, 1.494384195345034e+04, 9.810485158915068e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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