# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/89a086cd-71c5-4e46-afc9-36d4b79ac2b2/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 Mg2H4Ru / Cmcm (63) / materials id 643023](https://mdr.nims.go.jp/datasets/130c42fb-82f3-40b5-9eb5-111a6cf951be) ## Fulltext elements: [Mg, H, Ru]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: [24.31, 1.008, 101.1]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: [7.733634490208606e+00, 3.361981742751265e-01, 2.739002670201371e+00, 4.396610694996581e-01, 2.688822169618297e-02, -2.445034598632330e+01, -7.473064466386741e+04, 4.708053185149465e+02, -2.196950680220469e+03, -1.043720435743035e+01, 2.140590565872453e+02, -2.350873967343720e+01, -5.789363906132444e+00, 1.183201488519290e+03, 1.100321638918897e+02, 2.073183395306875e+04, 1.781896507147559e+01, 1.061625622642953e+01, 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