# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d5444b7a-ddaf-4b7e-8650-e39ce33f136d/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 Er2O3 / C2/m (12) / materials id 2460](https://mdr.nims.go.jp/datasets/cd4a91ea-3d63-4b4d-844e-781d11c228e7) ## Fulltext elements: [O, Er]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, 167.3]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: [1.114439189899859e+01, 4.707241623546950e+00, -1.000048457950855e+02, -1.264500260832838e+04, 2.809537599494498e+03, -5.660819890197909e+01, -1.187170067772160e+05, 1.010875152173343e+07, 1.111323512120705e+04, -1.002474166950336e+04, 1.827331656276996e+03, -4.373948081138143e+05, 4.259891037148982e+07, -1.853899454854578e+04, -2.046529457929993e+04, -6.886633721537090e+02, -3.532346559125656e+05, 9.454494439308362e+05, 1.791844647788559e+04, -5.307947436433096e+03, 8.926402941951277e+01, 1.850089018262629e+05, -1.191295995967156e+06, 1.942532695799879e+03, -1.175916431779285e+02, 4.162138774207288e+01, -4.323270602120231e+04, -8.574034766653288e+06, 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