# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3e41f138-3cf0-4633-a0ec-bf1d6ca7c521/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 Mg(AlC)2 / P-3m1 (164) / materials id 9514](https://mdr.nims.go.jp/datasets/b2531b93-c0d1-460c-8544-b1ddfe75019d) ## Fulltext elements: [C, Mg, Al]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: [12.01, 24.31, 26.98]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: [5.330456654000860e+00, 1.674326931360682e-03, 2.357916980156516e-01, 6.252174932813100e+00, 1.418498890575931e+00, 1.222779168000360e+00, 1.708170647978099e+05, 5.676382912128289e+04, 5.393828048755541e+03, 2.878466016079495e+01, -1.583244989042189e+01, -3.754942292915125e+04, 3.026321026870477e+02, 8.732298607618111e+00, 6.956458050213060e+01, 5.038661981559495e+01, 0.000000000000000e+00, 1.779961381950646e+04, 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