# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/495f98e9-4019-4beb-90a4-9b58e4cae920/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 NdO2 / C2/m (12) / materials id 31049](https://mdr.nims.go.jp/datasets/9aaa0feb-dd53-4087-b2e0-9cf6c68f4f10) ## 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: [-9.047641723692984e-03, 1.458294142388018e+01, -3.534736311463503e+02, -3.378693034109089e+00, -1.556245040832347e+03, -3.047879061179921e+02, 1.815961090233478e+05, 0.000000000000000e+00, -6.529929220771293e+00, 1.186076359541621e+03, 2.612750795445973e+04, -4.016376872551218e+07, 0.000000000000000e+00, -2.001131681967558e+00, 2.991112644368226e+03, -2.500668765258826e+04, 4.420466315517735e+06, 0.000000000000000e+00, -2.984854594310129e+00, -9.094797511110945e+00, 4.859212773566689e+03, -6.182069656907156e+06, 0.000000000000000e+00, 2.433048289422967e+00, 5.248449742396811e+03, 1.258290676345190e+04, 9.690791657073606e+06, 0.000000000000000e+00, 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