# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/85ef863a-9d39-4ed3-98e5-9d78cc981dee/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 MgCl2 / P-3m1 (164) / materials id 570259](https://mdr.nims.go.jp/datasets/c184388c-3f33-4721-a1a6-ad7d4761fd61) ## Fulltext elements: [Mg, Cl]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: [24.31, 35.45]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: [2.610978873281412e+02, 1.419217957501519e-02, 8.512921073658417e+01, 0.000000000000000e+00, 6.294928087508919e+04, 4.434894987016702e+01, 5.904393046173557e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.070444447720218e+05, 8.829123566740338e+02, -3.994804699045675e+04, 0.000000000000000e+00, 0.000000000000000e+00, -1.768683085170985e+06, 1.865689381113298e+03, -6.925188055164160e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.089799276107182e+02, 1.582286353389964e+05, 0.000000000000000e+00, 0.000000000000000e+00, 4.228659091268190e+05, -2.620132210964429e+01, -1.357790025478351e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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