# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4909d0ef-c98b-41b0-b90a-dc675490ed6c/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 Pr2O3 / Ia-3 (206) / materials id 16705](https://mdr.nims.go.jp/datasets/5aaf67eb-af80-47d3-bbb1-7cd1a421b721) ## Fulltext elements: [O, Pr]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, 140.9]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: [6.129060816691417e+00, 5.888371824355997e+00, 7.013146386060838e+03, -8.978309767528046e+05, -1.405950376310749e+04, -2.835714433244324e+03, 1.941802428723940e+05, 0.000000000000000e+00, 3.119406907968521e+06, 1.686607718298649e+05, 1.303890414118362e+03, -9.488860278535239e+06, 0.000000000000000e+00, 2.585545322420367e+05, 2.741740056846395e+05, -1.981755898276266e+03, -8.616479534797037e+06, 0.000000000000000e+00, 2.228596261043697e+06, 1.895409794232688e+05, 1.089291423183846e+03, -1.484696424688136e+07, 0.000000000000000e+00, -4.242049064516156e+05, 3.859286640577576e+04, 2.198806999294529e+03, 1.666949236593818e+07, 0.000000000000000e+00, 8.743479543747901e+05, 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