# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/591613c3-4b23-4f0e-9165-dffa0c93c722/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 MgIn2O4 / Fd-3m (227) / materials id 7831](https://mdr.nims.go.jp/datasets/b95260c6-c55d-4517-a86f-5c0291439472) ## Fulltext elements: [O, Mg, In]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, 114.8]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: [1.405750597048276e+00, 2.626484406121112e-02, 2.292556399069402e-02, 7.902186956622666e+02, 1.195934299925584e+02, 1.303845889731008e+01, 4.561569719690333e+03, -1.383029315581135e+03, 1.200452607015024e+02, 2.473034229530718e+00, -1.011246780206058e+01, 1.816014802242454e+03, 4.429111386191008e+03, 2.463584427445417e+00, -9.777205277425850e+03, -3.039339928729484e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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