# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/208484f5-ce71-4362-9f44-4ffdc0c2037f/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 Rb2S3 / Cmc2_1 (36) / materials id 7446](https://mdr.nims.go.jp/datasets/fbedd595-0e9a-43d3-b67e-93b35dcb8c40) ## Fulltext elements: [S, Rb]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: [32.07, 85.47]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: [-2.962595123336195e-01, 1.627929570019618e+02, -2.277768891173553e+03, -4.678086659971220e+02, -8.473518303379719e+04, -1.442873928711881e+07, 0.000000000000000e+00, 0.000000000000000e+00, 5.349927247643012e+02, 1.360842293707719e+05, 2.467882569804799e+07, 0.000000000000000e+00, 0.000000000000000e+00, 7.530778464059162e+01, -4.635142802383068e+04, -2.506921656237659e+06, 0.000000000000000e+00, 0.000000000000000e+00, -1.810148660919025e+02, 1.202251657988298e+05, 1.672352823145561e+07, 0.000000000000000e+00, 0.000000000000000e+00, -1.490283625586614e+02, -9.315339246643076e+04, 1.754051038330034e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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