# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0c89b7ca-ba85-4c62-8888-63759b70557a/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 Nd2O3 / P-3m1 (164) / materials id 2763](https://mdr.nims.go.jp/datasets/273e489a-debb-4ccb-96e6-83311e931e40) ## Fulltext elements: [O, Nd]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, 144.2]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [1.082204156417997e+01, 2.501577599836883e+00, 1.746770908171863e+03, -6.262350293130625e+03, 3.105692881849572e+03, -6.034832497008995e+01, 1.307487055530336e+06, 0.000000000000000e+00, 2.230091975389349e+04, -8.648011146438553e+04, 4.769879495664412e+03, 2.128956099358994e+05, 0.000000000000000e+00, 2.137215487281447e+05, -1.226311233547998e+05, 1.441782679399740e+02, -1.897697705185329e+06, 0.000000000000000e+00, 1.536296781964578e+04, 2.415984015736405e+04, 1.480629507333895e+02, 6.470947340446629e+06, 0.000000000000000e+00, 4.921778016089570e+03, 2.497704591716062e+02, -9.735877126136805e+01, -4.815412073696084e+05, 0.000000000000000e+00, -2.657847777433268e+04, 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