# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/fd29d396-36db-455a-af41-db9b3b4f7b33/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 Cl2O / I4_1/amd (141) / materials id 29537](https://mdr.nims.go.jp/datasets/e0305638-6fc3-4992-a65b-7aa9e5e116c0) ## Fulltext elements: [O, 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: [16.0, 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: [-9.151528415964138e+04, -8.913787816233218e-01, 2.083296629125599e+01, 0.000000000000000e+00, 2.694707429624181e+06, 2.449571341568305e+01, -2.170337970720593e+03, -1.261305400244324e+05, 0.000000000000000e+00, 4.411338432107883e+06, 3.149905351791216e+01, -5.693077627892600e+03, 4.872812356750398e+05, 0.000000000000000e+00, -5.353026386330595e+07, 2.346118801316461e+01, 2.910236294946262e+03, 1.218532428638884e+05, 0.000000000000000e+00, -1.889907525481858e+07, 1.275601569437857e+01, 2.235146582493707e+03, 4.443399913006128e+04, 0.000000000000000e+00, -1.357613314477385e+07, -1.266953327053111e+01, -2.253546808411416e+04, 1.005309982069068e+05, 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