# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/96978e4c-fcc2-49fa-8593-8f7b2ae4bf24/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 Sr3P14 / P2_1/c (14) / materials id 1853](https://mdr.nims.go.jp/datasets/80dcdb38-594f-426e-89fc-602bf5c494d6) ## Fulltext elements: [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: [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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-1.179058208290022e+01, -9.541929575938692e+02, 7.665911303102855e+05, -1.399283894750281e+03, -2.489572624579028e+05, -5.178481316930487e+07, 0.000000000000000e+00, 0.000000000000000e+00, 3.224142076387140e+03, -2.138835188414865e+06, -1.131448720322565e+08, 0.000000000000000e+00, 0.000000000000000e+00, 1.164326329720096e+04, 4.098381437342230e+05, -5.085076588215014e+07, 0.000000000000000e+00, 0.000000000000000e+00, -1.360118670982750e+03, -4.788988856843218e+05, -3.335610799351762e+07, 0.000000000000000e+00, 0.000000000000000e+00, -2.127491014198566e+03, -5.014096691940766e+05, 2.436554778041705e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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