# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/77e49990-b190-4e41-a697-fdc428e92b76/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 VCu3S4 / P-43m (215) / materials id 3762](https://mdr.nims.go.jp/datasets/f370c3d7-d3b9-4814-9ec8-e49b19f7f653) ## Fulltext elements: [S, V, Cu]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: [32.07, 50.94, 63.55]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: [2.580764785490960e+01, 2.906593907869423e-02, 4.346883926295475e-02, 0.000000000000000e+00, 4.980276994309576e-01, -1.296312201206901e+02, 0.000000000000000e+00, 8.058586624155934e+03, 2.476898974172815e+03, 6.192848564201985e+00, 2.645613370399930e+00, 0.000000000000000e+00, 1.787275520069508e+01, 9.963992675549001e+00, 2.335812460589979e+02, 2.962180439630885e+01, 0.000000000000000e+00, 0.000000000000000e+00, 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