# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f9a2dde4-03ef-4e96-bff0-0d6666c9419f/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 Sr3CrN4 / Pbca (61) / materials id 7214](https://mdr.nims.go.jp/datasets/b9f64e93-4947-46f2-851b-110fc48bfc3a) ## Fulltext elements: [N, Cr, Sr]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: [14.01, 52.0, 87.62]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: [7.511668023200008e+00, -1.881039607779094e-01, -2.257990024393459e+00, 0.000000000000000e+00, 1.080440206910893e+02, 2.082983939381306e+01, 3.887290456524093e+04, 1.871566833523627e+02, 7.439773986984885e+04, 1.257725012621609e+00, -2.954874633793232e+03, 0.000000000000000e+00, -1.634647719944748e+04, -4.309422451942989e+02, 3.858861688149623e+04, -1.228965799684472e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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