# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ef86dacc-1d33-4e14-800c-37f01ca26b2c/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 MgBr2 / P-3m1 (164) / materials id 30034](https://mdr.nims.go.jp/datasets/4097d26b-67b4-4d92-a62a-4442d33fc3e4) ## Fulltext elements: [Mg, Br]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, 79.9]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: 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: [1.700360960300019e+03, 3.256359199778248e-01, 5.823633480439530e+02, 0.000000000000000e+00, 4.754906713495163e+06, 4.258561553885413e+01, 4.616567915293360e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 8.902483088821080e+03, -1.042773615959653e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -7.530366159025847e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.134648303307748e+03, 1.810531857255685e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -8.849193281449422e+01, -7.579751417356506e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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