# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b7303035-f9e5-46d0-bbcd-f8bc60c7ad83/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 Cs3P6N11 / P4_132 (213) / materials id 16108](https://mdr.nims.go.jp/datasets/4f5896f4-7ad7-4816-bdef-a50e4744bf6d) ## Fulltext elements: [N, P, 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: [14.01, 30.97, 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: [5.575986502770006e+00, -1.167146377093159e-01, -4.008383870575645e+00, 5.774846578704198e+00, 7.211466691929683e+02, 3.819260869263840e+03, 4.306733028674377e+03, 1.715847743006133e+01, 3.258102185282145e+04, 2.906654142704027e+00, -3.174516402206055e+03, 1.322627476392140e+02, -9.630811195054137e+03, -2.788573076681420e+05, 0.000000000000000e+00, 0.000000000000000e+00, 1.976752832272095e+04, 0.000000000000000e+00, 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