# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1b7a736c-ab2c-4bb3-9c79-4ee17e662208/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 CaTe3O8 / C2/c (15) / materials id 15511](https://mdr.nims.go.jp/datasets/4bf3d1f7-f895-4fab-9b63-85d1a479b6a1) ## Fulltext elements: [O, Ca, Te]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, 127.6]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: [1.953490674307541e+00, 2.087299795600438e-01, 7.954161739419338e-02, 0.000000000000000e+00, 1.567731841827031e+02, 4.989625339408165e+01, 1.548418365215436e+03, -5.488549000840881e+02, -1.637303291792683e+02, 7.818528137531738e+00, -2.924212623447713e+01, 0.000000000000000e+00, 1.409739128685306e+05, 1.053296960362589e+01, -3.937674503322211e+04, -6.851565109323866e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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