# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/73c4a71f-b1a9-4a37-a309-cea8e457ce0c/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 CaGeO3 / C2/c (15) / materials id 776074](https://mdr.nims.go.jp/datasets/eecd2756-88ea-489d-98c7-c2b431847f33) ## Fulltext elements: [Ca, Ge, O]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: [40.08, 72.61, 16.0]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: [2.533294868221306e+03, 9.110508178944058e+01, 1.031270146685688e+00, 2.824912378909469e+01, -5.130126612402142e-02, 5.864108612268473e+00, 0.000000000000000e+00, 0.000000000000000e+00, 7.312646159471847e+05, -1.554094550222139e+07, -6.526756598066742e+04, -7.363925366701080e+06, 4.540472234802894e+03, 1.973685979947150e+02, 1.520513013087959e+02, 2.148381887854205e+04, 6.381594972141866e+05, 1.704845562882115e+03, 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