# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/114af364-755e-4613-9073-86eb5d6645c2/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 Mg4Ta2O9 / P-3c1 (165) / materials id 17481](https://mdr.nims.go.jp/datasets/5e94b41d-8a3e-48da-b78f-7642587e3bba) ## Fulltext elements: [O, Mg, Ta]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, 180.9]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: [3.321271965423560e+00, 1.368663797031326e-01, 1.858227372969505e-01, 7.070666227397770e+00, 8.832678658678054e+01, 1.000318661490537e+01, -1.858185696529684e+03, 2.363242952386061e+02, 1.561606009714628e+03, 3.119158917159369e+01, -1.114929306613744e+02, -3.604327645042297e+02, 6.855268203673730e+03, 3.298287485479029e+01, 2.592020182089720e+03, 1.729016169928884e+03, -3.688618176810377e+04, -4.084510469788569e+05, 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