# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b483880d-2e19-4a14-a15c-4231d4301f7d/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 Li2O / Fm-3m (225) / materials id 1960](https://mdr.nims.go.jp/datasets/b5eaba53-b48a-4c7a-8dfc-5198480306a7) ## Fulltext elements: [O, Li]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, 6.941]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: [1.152613277362178e+01, 6.131536782080863e-02, 3.137574925650524e-01, 7.707352682516466e+04, 3.863202861863671e+02, 9.599465944041230e-01, 2.318770417414759e+00, 1.291999412222847e+01, -1.434976887834209e+05, 4.019809260626616e+02, 5.338171250184281e+00, -6.272098408074846e+00, -2.332498583710160e+00, 0.000000000000000e+00, -5.437333868434624e+03, 6.754116119924150e+00, -2.143103776205490e+01, 1.249000293763667e+02, 0.000000000000000e+00, -6.344315440455921e+02, 2.506281242773085e+00, 4.378250465808825e+00, -2.495857130788159e+00, 0.000000000000000e+00, -7.031745499908242e+02, -2.220946168518533e+00, 1.492048971933758e+00, -8.325861599446725e+00, 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