# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7fa8390b-84e5-4eff-8cfa-cc08bf0fbb39/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(BeAs)2 / P-3m1 (164) / materials id 865185](https://mdr.nims.go.jp/datasets/6bcbcd16-d5e5-499b-b82b-e955b53546fe) ## Fulltext elements: [Mg, Be, As]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, 9.012, 74.92]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: [-2.536617863854136e+02, 4.777006976113139e+00, 4.490490030862910e-01, 2.786672687410710e-01, 9.403509181326951e-02, 1.221016268350482e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.415908969778189e+05, 1.335767165661035e+04, -8.410356113945917e+04, -4.504373505437790e+02, 6.180749078810853e+02, -5.651269831133822e+01, 0.000000000000000e+00, 6.988687963604899e+01, 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