# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7890e2be-3a3e-4d7c-8dd9-7cf3947d871d/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 VCu3Se4 / P-43m (215) / materials id 21855](https://mdr.nims.go.jp/datasets/cf56cb5d-7a0c-4391-b83e-822981b33161) ## Fulltext elements: [V, Cu, Se]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: [50.94, 63.55, 78.96]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: [0.000000000000000e+00, 6.649544801620914e-01, 4.332455929985220e-02, -1.759498116219463e+02, 6.283267065090919e-02, 1.434628860877518e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -7.440769485586562e+02, 6.368262958461460e+01, 0.000000000000000e+00, 4.040411371601405e+02, 1.652166410651294e+01, 8.449653795346034e+00, 6.229158371480667e+03, 0.000000000000000e+00, -5.512139274793059e+04, 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