# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ca83e4ab-4bf1-45bb-a6b2-0dfaca2b7568/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 SnO2 / P4_2/mnm (136) / materials id 856](https://mdr.nims.go.jp/datasets/795400c5-9b7a-40c5-869a-e09339e84888) ## Fulltext elements: [O, Sn]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, 118.7]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: [-2.154428948526171e+00, 1.736620100144194e+00, 3.899500678732007e+02, 9.614458904862009e+02, 2.163982754708421e+02, -2.137800921183896e+01, -1.193477744682560e+04, 0.000000000000000e+00, 1.100845874818685e+04, -5.065446803206001e+02, 3.184298621708799e+02, -2.127920911111544e+05, 0.000000000000000e+00, -7.078229168267878e+03, -1.810214814679948e+02, -7.305692170135738e+01, -2.097372806909311e+02, 0.000000000000000e+00, 1.278278810826890e+04, -8.109753040569927e+01, 1.521330541295148e+00, 2.118832083692807e+05, 0.000000000000000e+00, 7.028078370335632e+01, 6.466350057014154e+03, -2.809711079468742e-01, -5.652332317711830e+04, 0.000000000000000e+00, 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