# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/224ec622-5372-40a8-aa2a-4bff7f6dc8ac/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 / Pnma (62) / materials id 4967](https://mdr.nims.go.jp/datasets/8e7b900f-7eef-4924-9ce7-69b86de1db36) ## 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: [1.161234904638521e+00, 2.125011433854373e-01, -2.891983793690512e-02, 2.897691549612492e+02, 6.556951929649992e+01, 8.901842356345455e+04, 5.452611641877842e+02, 9.866588959830667e+02, 2.928541786638160e+01, 2.193318991601435e+01, -2.027580527248420e+00, 2.332709656807719e+04, 1.411259977390982e+04, 9.379215527276604e-01, 3.690397902275901e+03, 8.773157960947452e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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