# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/64e98457-faec-4938-9f36-16103bb5b582/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 K2MgH4 / I4/mmm (139) / materials id 23956](https://mdr.nims.go.jp/datasets/1df356fb-a2ce-4abb-bf7a-dfb2835ce99a) ## Fulltext elements: [H, Mg, K]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: [1.008, 24.31, 39.1]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: [6.459744535473075e-01, 1.078445126606421e-02, 6.172757421994651e-01, 8.407096342987605e+03, 9.473247881388358e+00, 1.423175984854485e+04, -2.307522622444773e+02, -5.278546104572903e+00, 1.337605809388582e+03, 1.018855374850318e+00, 1.333725804038530e+01, 3.592785052984432e+04, 2.457939250263357e+02, 7.038228872198247e+02, -1.600618604445740e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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