# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3dac0536-5e1f-411a-8077-c4170974a0d7/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 BeS / F-43m (216) / materials id 422](https://mdr.nims.go.jp/datasets/993d1467-37e3-4b89-be30-c09ce5283dbc) ## Fulltext elements: [Be, S]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: [9.012, 32.07]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: [-6.460458064880491e+00, 3.540596870006071e-01, 2.385799047893326e+01, 0.000000000000000e+00, 1.188656987856852e+04, 1.144026695913650e+01, 9.280580963722936e+03, 0.000000000000000e+00, 0.000000000000000e+00, -3.718250822539884e+04, 4.775509011645816e+01, -2.456807007976898e+04, 0.000000000000000e+00, 0.000000000000000e+00, -4.659720887523526e+04, 1.589714878346030e+01, -2.872734261028452e+04, 0.000000000000000e+00, 0.000000000000000e+00, -3.214293920081532e+04, 6.790394624632611e+00, 8.201025489009071e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.862410521398324e+04, -1.732856257411012e+01, -3.476319895057449e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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