# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cf565fda-5b9b-47d3-88b6-9ad09a1d1005/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 CuTe2Cl / P2_1/c (14) / materials id 30971](https://mdr.nims.go.jp/datasets/00bfb526-20e8-4b4b-8ee2-4f75e388d210) ## Fulltext elements: [Cl, Cu, 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: [35.45, 63.55, 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: [2.543355499317290e+02, -1.321911686960326e-01, -2.542858890102665e+01, 8.342941060009510e+01, 2.895059544728494e-01, 7.924984753319674e+00, 0.000000000000000e+00, -2.639078159923563e+04, 0.000000000000000e+00, 2.201317157503646e+01, -7.947001537620640e+04, -3.880462830663071e+05, -2.928513578971270e+02, 0.000000000000000e+00, 2.050040116320365e+05, 2.287397955406278e+06, 0.000000000000000e+00, 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