# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3d1e94fe-8983-4a97-b8d8-c696a95c09ed/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 Th2SeN2 / P-3m1 (164) / materials id 7768](https://mdr.nims.go.jp/datasets/f05cabb9-47d9-441c-b343-3fa9309e609a) ## Fulltext elements: [N, Se, Th]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, 78.96, 232.0]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: [3.071205560027247e+00, 9.872921397841864e+00, 2.200850927794767e-01, 4.815246739129917e+03, 9.238321046824357e+00, 5.725361234097468e+02, -1.020556004016120e+04, 0.000000000000000e+00, 1.349634607951545e+03, 0.000000000000000e+00, 1.013397447370925e+05, 0.000000000000000e+00, 1.009790933189763e+06, 1.994187273906244e+02, 2.414641440950766e+04, 1.072985925697244e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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