# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/43116a50-58bf-4bc1-b19e-72f66326f6f4/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 Cd2PCl2 / P2_1/c (14) / materials id 31276](https://mdr.nims.go.jp/datasets/78eac6d7-90d7-43de-ab1e-0de9ce19fdba) ## Fulltext elements: [P, Cl, Cd]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: [30.97, 35.45, 112.4]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: [2.092755772415393e-01, -9.391646789237594e+00, 1.260287228399149e+00, 2.266597011922601e+02, 1.152475790292492e+00, -3.975706847355278e+03, 1.273623279174802e+02, 1.392889888913379e+05, 2.658139783542184e+02, 0.000000000000000e+00, -9.046053590275325e+04, 0.000000000000000e+00, 4.744772032950339e+05, 4.890286456811850e+02, 1.844566227510883e+03, 0.000000000000000e+00, 0.000000000000000e+00, 3.051772760530851e+04, 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