# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/21b2770f-1392-471b-9183-a322f8ca7c85/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 ScTc2W / Fm-3m (225) / materials id 862725](https://mdr.nims.go.jp/datasets/3b321505-cf68-42f3-bf21-a0ffb9761e60) ## Fulltext elements: [Sc, Tc, W]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: [44.96, 99, 183.8]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: 6type_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: [0, 2] 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]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [2.488694414545168e+04, 7.145107096739929e-01, 2.445754168803375e+00, -1.733091240009198e+01, 2.992864960942159e-01, -2.081558263266099e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -4.264483563790792e+01, -1.476843197307340e+04, 9.350105743804184e+03, -1.220476115953271e+03, -4.930664749948456e+04, -2.571396546496918e+04, 0.000000000000000e+00, -5.690278606153657e+05, 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