# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/feb7157e-be9b-49bf-a76f-09dd7df7e3c7/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 Dy2GeO5 / C2/c (15) / materials id 28351](https://mdr.nims.go.jp/datasets/a5c96e0c-3d1a-4503-8ccf-dc05c74b2b0b) ## Fulltext elements: [O, Ge, Dy]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, 72.61, 162.5]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: [1.271761447608617e+01, 3.425621560671675e-02, 1.877163197293199e+00, 3.340098909205790e+02, 1.438471865815372e+02, 9.127947560928411e+02, 3.510424812281246e+03, 1.565826643598993e+03, 1.351588876216856e+04, 6.692224549273742e+00, -1.347138279339283e+02, -7.813233264726897e+05, 2.353363565971108e+02, 1.371895329279208e+02, 4.653513247549019e+04, 1.242325760946075e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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