# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e5e6868b-ffb8-4ec7-94dd-dd9783c3304a/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 Cu2O / Pn-3m (224) / materials id 361](https://mdr.nims.go.jp/datasets/d06a4170-e0fb-404d-8bd5-07f26e960cbd) ## Fulltext elements: [O, Cu]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, 63.55]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: [8.872071223192959e+00, 2.499840562599935e-01, 3.068400473997308e-01, 0.000000000000000e+00, -4.272865447489164e+03, 5.295942827630053e+00, 1.712131241160472e+02, -2.331240915935738e+02, 0.000000000000000e+00, -4.997307550508183e+03, 9.747473055240285e+00, 2.082662741561794e+02, -2.231218374269416e+03, 0.000000000000000e+00, 7.059479756713077e+03, 5.995176206416184e+00, -6.456735197565900e+00, -1.008183575102598e+04, 0.000000000000000e+00, -1.640968661919469e+03, 3.148929597926424e+00, 5.318639418680365e+01, 2.889298784225326e+04, 0.000000000000000e+00, 2.014669810294513e+03, -3.152110123290942e+00, 1.634157567739023e+01, 6.342301145428653e+03, 0.000000000000000e+00, 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