# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ae2228ce-3abe-4d71-92ff-37efa4574181/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 Cs2Ni3Se4 / Fmmm (69) / materials id 14336](https://mdr.nims.go.jp/datasets/3080ae7c-666d-4ebb-a785-19675d9a412d) ## Fulltext elements: [Ni, Se, Cs]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: [58.69, 78.96, 132.9]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: [5.035286374357923e+00, 5.587957464977206e-02, 7.034444587412051e+01, 2.503642171725085e+00, 2.591064246092646e+02, -2.142111119776726e+03, -1.908648775304019e+05, 2.683173942445848e+03, 0.000000000000000e+00, 2.258533322811508e+01, -4.634363740027516e+04, 2.798857135302662e+02, 1.770937711505610e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -8.186770422925433e+03, 0.000000000000000e+00, 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