# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9d005005-b6b1-4ccf-ae87-b9f7d5569d3f/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 Tb2O3 / Ia-3 (206) / materials id 1056](https://mdr.nims.go.jp/datasets/a271a981-86a3-42ee-9c67-953c76bf75f9) ## Fulltext elements: [O, Tb]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, 158.9]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: [6.514611984187846e+00, 6.916970769665315e+00, 8.184355312982011e+02, -3.016889328523178e+04, 4.939607599970528e+03, -3.621973409067804e+02, -1.941570348046302e+05, 0.000000000000000e+00, 1.591574054214964e+05, -3.137404126243698e+04, 6.702883179806305e+03, 6.251743586178459e+05, 0.000000000000000e+00, 5.077033742939085e+05, 3.558300404180805e+04, 2.465463443479934e+02, -1.760966907498311e+06, 0.000000000000000e+00, 5.394113620336766e+05, 7.538913075602226e+04, 1.200842711569171e+02, -2.119680307827960e+06, 0.000000000000000e+00, 4.102926540265243e+04, 2.725933625057093e+03, -2.342615751015869e+02, 2.411820733499582e+06, 0.000000000000000e+00, -1.519799115074309e+04, 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