# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ce31baaa-d667-4260-a403-44c5d3f700bb/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 MgSeO4 / Cmcm (63) / materials id 12630](https://mdr.nims.go.jp/datasets/8145de79-d9d6-4bf0-aebd-a44cc2fcded8) ## Fulltext elements: [O, Mg, Se]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, 78.96]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: [6.061457135902232e+00, 1.331629518412708e-01, 1.252242879514476e-02, 8.645582472034371e+01, 8.211012897322884e+01, 7.403645688521390e+03, 2.297014042064523e+03, 8.031330779483255e+02, 1.840272799448320e+02, 1.554990464240098e+01, -3.102214521829179e+01, 2.126690686945828e+03, 4.309092823897799e+04, 3.157426671059767e+00, 1.069298634463914e+04, -1.101436353955539e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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