# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/286f93d1-0d4a-4454-9a5c-51558f9a9aca/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 BeSe / F-43m (216) / materials id 1541](https://mdr.nims.go.jp/datasets/9e298300-4b6a-4c77-8e04-b239dee86abf) ## Fulltext elements: [Be, Se]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, 78.96]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: [-1.203905065878959e+01, 4.841032674426694e-01, 1.673988897358567e+02, 0.000000000000000e+00, 3.907860700255402e+04, 2.027530530354107e+01, 1.718333203841498e+04, 0.000000000000000e+00, 0.000000000000000e+00, -1.788699443081883e+05, 9.801742169138254e+01, 2.468871050214685e+03, 0.000000000000000e+00, 0.000000000000000e+00, -2.520109116780038e+05, 3.873712857028291e+01, -2.060498098217165e+05, 0.000000000000000e+00, 0.000000000000000e+00, -5.362214599852581e+05, 1.255659243040111e+01, -1.983757352101149e+04, 0.000000000000000e+00, 0.000000000000000e+00, -6.547043099253265e+03, -3.283858923827731e+01, -2.961628773207988e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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