# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3793f0dd-0264-4b6d-9d46-2d1c20580b15/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 MgSO4 / Cmcm (63) / materials id 7572](https://mdr.nims.go.jp/datasets/640aa87d-8c22-4548-bd66-6a160b491ab0) ## Fulltext elements: [O, Mg, S]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, 24.31, 32.07]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: [1.217613083132480e+00, 1.641062601103386e-01, -1.015269079961022e-02, -3.792752991706541e+01, 6.646381666493940e+01, 6.212810573116264e+03, 8.099322864347027e+02, 5.300500849430108e+02, 3.270977526586968e+01, 2.489685565761162e+01, -2.302690682464316e+01, 2.143984898287859e+04, 3.711995828101029e+04, 9.922007924070170e-01, 3.683183292222607e+03, -3.980648574179791e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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