# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cac9498d-e2a1-49dc-83d7-9b59555e1ff1/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 ZnSeO4 / Cmcm (63) / materials id 754358](https://mdr.nims.go.jp/datasets/02f72390-20b7-4b4d-9196-29c500790a9f) ## Fulltext elements: [Zn, Se, O]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: [65.39, 78.96, 16.0]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: [6.129146801406839e+01, -4.260423005762940e+01, 1.783243985380127e-01, 2.881202454949839e+03, -3.093819088250576e-03, 4.260850158832368e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.185396612893417e+04, 0.000000000000000e+00, 3.474740508501144e+04, 0.000000000000000e+00, 4.632896658892349e+03, 2.526376135489934e+01, -1.622407117421021e+01, -4.460409998731196e+03, 0.000000000000000e+00, -1.906944449299497e+06, 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