# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bb5f59e7-52e9-458a-a3f1-d17755c5d5ff/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 NbAg7S6 / Pc (7) / materials id 3926](https://mdr.nims.go.jp/datasets/da158164-69f2-4f1e-8c78-2ce58fa5cca9) ## Fulltext elements: [S, Nb, Ag]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, 92.91, 107.9]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: [-1.830994085897423e+01, -6.439611191809940e-01, -7.221847422281017e-01, 0.000000000000000e+00, -2.090703808238060e+01, 1.819210589126403e+01, 0.000000000000000e+00, 2.196282300954280e+06, 6.493089226180213e+05, -9.716438781982832e+01, -9.722163533416151e+03, 0.000000000000000e+00, -1.236818184862691e+04, -9.713117542635562e+02, -4.777383740616740e+04, -1.876706729315409e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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