# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0aa797ca-59d6-4293-8f13-e7b8a0adfa0e/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 Ac2O3 / P-3m1 (164) / materials id 11107](https://mdr.nims.go.jp/datasets/392f2775-a094-41b3-81dc-cf9107fab280) ## Fulltext elements: [O, Ac]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, 227]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: [6.639445288576660e+00, 2.508126707908206e+00, 4.693588619184444e+03, -1.188056729449580e+05, 1.587466197371008e+04, -3.151984005774006e+02, -8.243881861919044e+06, 0.000000000000000e+00, 2.417735724911825e+05, -2.082773332031397e+05, 1.046228411828377e+04, -4.980335999190114e+06, 0.000000000000000e+00, -2.668332047264841e+04, -5.384954018628356e+05, 2.488965086309129e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.724473327897632e+04, 5.011280519220269e+04, 1.441192839149373e+02, 0.000000000000000e+00, 0.000000000000000e+00, 5.491251654495758e+04, 7.167442599526913e+03, -1.040314593747950e+03, -2.959757645427962e+06, 0.000000000000000e+00, 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