# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1154c15d-37ae-4d15-8d2d-34f0de659dcd/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 Pr4Se3N2 / C2/c (15) / materials id 31303](https://mdr.nims.go.jp/datasets/209f188d-76fe-45fd-a77c-f3390a5928b3) ## Fulltext elements: [N, Se, 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: [14.01, 78.96, 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: [5.537493032400005e+01, 7.387708586887446e+02, -1.532924000008778e+00, 1.349805694108655e+03, 4.361400076805164e+01, 5.098627249765075e+02, -1.713389291671106e+05, 0.000000000000000e+00, 3.004248803996633e+04, 0.000000000000000e+00, 6.090387932271152e+05, 0.000000000000000e+00, -3.212527493799747e+07, 4.493717074030965e+02, 6.154733156172559e+04, -6.118069093634246e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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