# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3639c26b-6e17-4d67-a042-f878cedd4e17/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 MgP4 / P2_1/c (14) / materials id 384](https://mdr.nims.go.jp/datasets/c0ae1b8e-070b-4108-8c6b-e0e28c257426) ## Fulltext elements: [Mg, P]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, 30.97]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [0.000000000000000e+00, 9.445467917130433e+00, -1.969953557117614e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.324933788021939e+04, -1.562585332747038e+04, -8.954601587245081e+02, 0.000000000000000e+00, 0.000000000000000e+00, -1.535727092224299e+05, 2.427199693511645e+04, 2.592426143082502e+03, 0.000000000000000e+00, 0.000000000000000e+00, -4.000746587473452e+04, 1.537791316506090e+04, 4.640533874888453e+03, 0.000000000000000e+00, 0.000000000000000e+00, -3.134979880576978e+04, -1.833348048615496e+04, -2.838943321767761e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.591986705478436e+04, -2.428008213824254e+04, -5.227948386610072e+01, 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