# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/74b62026-9f48-4d41-a73c-8f740d6daafe/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 Mg3As2 / P-3m1 (164) / materials id 7891](https://mdr.nims.go.jp/datasets/2897c5e1-bb1f-41e2-9208-5ec53867ef08) ## Fulltext elements: [Mg, 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, 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: 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: [1.897139735827692e+01, 1.465661448352158e+00, 1.589896447023744e+03, -2.577243678539753e+04, 2.092570227350601e+04, 7.114715368190361e+02, -6.362530764104980e+06, 0.000000000000000e+00, -2.731134725400624e+05, -3.656200485439395e+05, 6.635860173140352e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.953908528714150e+06, -3.847535205403792e+05, 5.519219530426824e+03, 0.000000000000000e+00, 0.000000000000000e+00, 3.546779874505783e+05, -5.770967626541986e+05, 1.297453907323177e+03, 0.000000000000000e+00, 0.000000000000000e+00, 3.089751236911392e+04, 9.809080370160282e+03, 2.696169469960156e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.572556519821618e+05, 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