# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b98c0bf0-6845-4d08-8a30-5d37715e5a20/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 Sr3(PO4)2 / R-3m (166) / materials id 4632](https://mdr.nims.go.jp/datasets/98a6ab30-fd85-47d1-a873-5f4a51bfdabe) ## Fulltext elements: [O, P, Sr]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, 87.62]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: [7.498434911633040e-01, 3.074171633088215e-02, 1.107018614355495e+00, -1.608064795595781e+01, -1.093225680871844e+01, 5.747319536701082e+01, 2.740635732483391e+02, 3.868035553967468e+01, 6.345753455324847e+02, 1.335481218258493e+00, 9.550980398121008e+01, -1.798092579168074e+04, -8.498043380293182e+02, 6.936107386125002e+02, 1.386011057319132e+03, 3.368410753119266e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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