# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c0494c2c-298d-4c48-a83f-e341f2851d53/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 YbCsF3 / Pm-3m (221) / materials id 8398](https://mdr.nims.go.jp/datasets/dd0cd266-20b8-499a-8419-d3de8c6338a2) ## Fulltext elements: [F, Cs, Yb]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, 132.9, 173.0]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: 6type_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: [0, 2] 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]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [3.772439160239128e+00, 1.071640032123990e+00, 1.494547422535331e-01, -2.705039935532594e+04, 1.680214409242895e+02, 6.212190538669327e+03, 4.420027068586674e+04, -6.628874295095204e+04, 6.594306541292128e+02, -7.542909176715860e+03, -8.201519639138647e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.765872523014304e+01, 3.077432766606496e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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