# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8293b8a7-4cc1-4b4e-b4d4-c628fde541ea/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 MgH2 / Pbcn (60) / materials id 569051](https://mdr.nims.go.jp/datasets/d67ec7e4-9d1e-4ca8-be2f-56aea828ada7) ## Fulltext elements: [Mg, H]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, 1.008]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: [2.217317605891779e+01, 9.298236113106472e-01, 5.468923340997736e-01, 1.536838051605713e+05, 1.055222825085960e+02, 9.837920263803172e+00, 5.641711000271327e+01, -3.370186011435877e+02, -1.033161895146014e+06, 4.295770843270174e+03, -2.479081462348758e+00, -1.454348858219373e+02, 1.162371951098743e+03, 5.198984924770332e+05, -1.005704628948646e+04, 4.705128783879077e+00, -8.171031981776064e+00, -3.054394625310604e+02, 1.527339164396336e+05, -4.254261512908743e+03, 1.586457170914452e+00, -7.375298232862632e+00, 5.815359498232513e+02, 7.924360604149433e+04, -1.922011577911955e+03, -3.555517883573639e+00, -2.561237175372320e+02, 3.925481502692979e+02, 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