# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2f532bb1-a72e-4de0-a121-b89ea6383a31/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 SrSeO4 / P2_1/c (14) / materials id 4092](https://mdr.nims.go.jp/datasets/71fa5344-516d-4277-99ed-a5a804f3f592) ## Fulltext elements: [O, Se, 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, 78.96, 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: [1.123560262323696e+00, -4.793427673590969e-02, 1.279704979982289e+00, -2.973493573127965e+04, -1.464468660287499e+02, -2.662782272832974e+04, -6.390097710606096e+03, 4.113280345467858e+02, 2.054941197012863e+04, 2.875972389969732e+00, 2.585746984867912e+02, -7.202728821614341e+06, -1.420443287494611e+04, -2.234274705465625e+03, -1.739374599599385e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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