# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1792f9e3-e5d9-4716-b50f-87000405a156/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 MgO / Fm-3m (225) / materials id 1265](https://mdr.nims.go.jp/datasets/59c5d436-339d-4b32-ba59-a3da5ea68bc7) ## Fulltext elements: [O, Mg]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: [16.0, 24.31]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: [3.913447690782801e+00, 6.620231044805421e-02, 6.456588892564127e+00, 7.916247096082334e+03, 1.641411141853661e+02, 4.397110903312711e+00, 2.041408644735088e+02, 3.232472564799351e+03, -1.013214169624859e+04, 2.149380255767396e+02, 7.334663868904205e+00, 2.516778831540453e+02, -6.736099310729863e+01, -2.199212219484453e+04, 2.672038061606700e+02, 2.442684353544722e+01, -1.663860479973130e+03, -1.225443234631349e+04, -1.536063504924963e+04, -5.835641170197272e+02, 3.072402970746505e+00, -1.122642530655030e+03, 5.739623213852210e+03, -2.858761589959817e+04, -5.158297648824374e+01, -2.685149205940955e+00, 8.966938290223393e+01, -6.858447609224360e+03, 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