# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a61c510c-6865-4655-83f8-abcd03a58996/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 CaGe2O5 / Pbam (55) / materials id 4279](https://mdr.nims.go.jp/datasets/fe3cc144-4c7d-48e8-a51a-0377eb348baf) ## Fulltext elements: [O, Ca, Ge]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, 40.08, 72.61]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: [3.421574199158927e+00, 6.453392180985864e-01, -4.362239142085312e-01, 2.587036779125626e+02, 1.244370531387866e+02, 1.998838145089975e+01, 3.585594067027630e+03, 5.405440659193185e+03, 2.299040414283403e+02, 4.215428300092088e+02, -3.689149309454867e+01, -7.524781778622381e+04, 1.443292093296250e+05, 5.155499760026240e+00, -1.132784295343437e+04, -1.122894385577947e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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