# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/18f1d7ed-fd99-4a5d-81e0-4d67a3e99df4/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 Nd2O5 / C2/c (15) / materials id 985608](https://mdr.nims.go.jp/datasets/f5fccdaf-e5d3-479d-ae1d-5d4af67f353d) ## Fulltext elements: [Nd, O]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: [144.2, 16.0]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: [6.056705705737895e+03, 1.855143410491973e+00, -1.364491727417743e+00, 0.000000000000000e+00, -3.287884002577535e+06, 6.483309073915384e+03, -7.304124035046848e+02, 5.241487633720803e-01, 0.000000000000000e+00, -4.828011219874209e+06, -9.784689972609836e+03, -1.766113272259623e+02, 4.509517166953406e+00, 0.000000000000000e+00, -1.713634559868924e+06, -8.951105793063101e+03, -9.625185030416583e+02, -4.039642163263932e+00, 0.000000000000000e+00, -2.236421462809275e+05, -1.796908715389448e+04, 2.056369265976723e+03, 2.055113813806118e+00, 0.000000000000000e+00, -3.807935667133532e+06, -4.667112897961963e+03, 5.819731309702145e+02, 4.453723874713115e-01, 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