# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/374a068a-d7dc-4220-9f78-baa9891adbc9/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 LiF / Fm-3m (225) / materials id 1138](https://mdr.nims.go.jp/datasets/4f4fc2c6-5555-417a-beef-40fe7859cc6a) ## Fulltext elements: [Li, F]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: [6.941, 19.0]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: [9.462065218786769e-01, 1.395914812915335e-02, 1.247552953316822e+00, 3.585989582483768e+02, 1.944843322989677e+01, 7.470744352605424e-01, 1.724705695248146e+01, 7.959272908575770e+02, 9.710471277031991e+01, 1.795561986024700e+01, 7.990610088254910e-01, 5.459271938921354e+01, 1.829409568983197e+02, -1.694952641699979e+03, -8.498765811088511e+01, 2.694013116482469e+00, 6.985639183242972e+01, -1.319564677111940e+03, 3.927044932066705e+02, -3.302342061726435e-01, 4.553060579039013e-01, -4.766607263601935e+01, 1.288768409825813e+03, 1.780698269819095e+02, -1.152756742546377e+00, -3.712975722336542e-01, 1.864593158325523e+01, -2.060358628730235e+03, 2.911402393574038e+01, 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