# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4b7414f5-ded7-49df-b098-53685aef0944/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 Zr2P2O9 / Cmce (64) / materials id 27132](https://mdr.nims.go.jp/datasets/aebca166-e7ff-4d2a-ad6e-499c5230db3e) ## Fulltext elements: [O, P, Zr]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: [16.0, 30.97, 91.22]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: [9.050077110478593e+00, -2.614610486200605e-01, 9.440582320237207e-01, 1.665180338376159e+04, 2.602502268493904e+01, 7.230525632896935e+03, -4.711554048701344e+03, 5.010204797733344e+02, 6.818173321396888e+03, 4.734758134441686e+00, 3.299666498397272e+02, -1.698959807451640e+06, 3.873397953086315e+02, 2.171118275535858e+02, 6.850945509016939e+03, -2.288715637529310e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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