# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7e6f0326-4693-4733-b6f2-b68975425bac/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 ErNbO4 / C2/c (15) / materials id 5370](https://mdr.nims.go.jp/datasets/682cd7da-9cd7-4f57-85fa-0699deefc14c) ## Fulltext elements: [O, Nb, 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, 92.91, 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: 6type_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: [0, 2] 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]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [1.035598411112914e+01, 2.506717984595475e-01, 4.071594906997534e-01, 4.072527797799632e+02, 3.119255022190100e+03, 4.863372284523850e+03, -9.718719955479364e+03, 4.776349780502981e+03, -1.294177897231166e+02, 3.238864526415045e+01, 1.665567615337527e+02, 2.385956678105057e+04, 3.272702661527475e+05, 1.066428762007089e+02, 1.201351740052658e+06, 1.748140615393457e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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