# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/52cc3425-a498-4fe9-a127-463e5b33fc10/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 Mg3(PO4)2 / P2_1/c (14) / materials id 560623](https://mdr.nims.go.jp/datasets/6ef9156a-fc73-46d1-8c15-d8e8f1ace884) ## Fulltext elements: [Mg, P, 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: [24.31, 30.97, 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: [4.571718184136946e+02, 7.283368586018144e+00, 8.603590096209465e-01, 1.906052144219660e+03, -4.636027146526283e-01, 4.819260110180709e-01, 0.000000000000000e+00, -3.432718023875669e+06, -4.243062915795926e+04, 2.871947354593091e+04, 1.964383306271445e+03, -5.084938881602605e+07, 5.242156967077699e+02, 1.089691288325726e+01, -2.199106615081452e+02, 2.503456516160481e+03, 0.000000000000000e+00, -2.396513967510056e+03, 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