# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/85fa4b15-016b-41ff-91a5-6718a41bed37/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 ErTaO4 / P2/c (13) / materials id 3444](https://mdr.nims.go.jp/datasets/54761e11-a2a2-4908-a5cf-693c01dafb6b) ## Fulltext elements: [O, Er, Ta]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, 167.3, 180.9]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: [2.210757453427122e+00, -2.762621269662979e-02, 3.025946772818950e-01, 2.856429605298010e+02, 5.876074067884155e+02, 2.624473965875072e+02, -2.689750100133815e+03, 7.457076636456954e+03, 1.392364859135259e+03, 8.221007548784245e+01, -2.812356616931007e+02, 2.385829537874466e+05, 3.685309282597057e+05, 5.807890648619987e+01, 1.177691779517674e+05, 4.658379714344642e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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