# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6ed2e03a-65ac-4b20-a4ee-18697284e8ef/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 MgF2 / P4_2/mnm (136) / materials id 1249](https://mdr.nims.go.jp/datasets/9919101a-93b1-48b0-90e5-9101ad1e17d3) ## Fulltext elements: [F, 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: [19.0, 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: [2.065301736903653e+00, 3.732691491138073e-01, 9.414648829398588e+01, 7.344760547004929e+02, 4.365406272403790e+01, -4.831950362756698e-01, 4.879728383618582e+03, -5.159311279163944e+05, 1.761457985662344e+03, -1.217802494678996e+02, 6.569181709878600e+01, 9.805052143988516e+03, -4.492880141110946e+05, -4.337580496026011e+02, -3.698529473619551e+01, 2.245867183871077e+01, -1.813378271263431e+01, 4.813395740780859e+05, 2.163272513250210e+03, -1.671117690949828e+01, 8.148669764638715e+00, -2.026233059537562e+04, -3.601462787061539e+05, -3.615080160588785e+02, -4.589326994352156e+02, -8.114239669088246e+00, 4.842386161835622e+03, -1.370197278279191e+05, 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