# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/815d074c-a66e-4d90-8c5a-45c240a8139d/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 As2O3 / P2_1/c (14) / materials id 1581](https://mdr.nims.go.jp/datasets/7ad21602-08eb-461c-bb75-7c083af328a6) ## Fulltext elements: [O, As]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, 74.92]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: [4.637615788523463e+00, 3.785618658493475e-03, 6.441282177977662e+01, -2.599194562130558e+04, 3.728129646864518e+03, -1.340146418381920e+01, -5.302097400400986e+04, 2.000357298779036e+07, -1.545807799048727e+04, 1.803877944158785e+03, 4.214969073234293e+02, -4.679184791801242e+05, -3.420435377518042e+06, 3.616692128321194e+04, 5.551238735804535e+03, -4.707077110631757e+01, 3.130510962965347e+04, 5.728783589696670e+07, 5.344843409873328e+04, -8.307814579135071e+03, 1.001302787575530e+01, -8.357215664137834e+04, -3.365581295514575e+07, 2.008955931323237e+04, 2.109254694420535e+04, -6.481632755242300e+01, -1.831229819371192e+05, -6.367798558650118e+06, 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