# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5d93f45f-babf-441c-8856-a819e366bd39/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 Hg(AsO3)2 / P-31m (162) / materials id 3810](https://mdr.nims.go.jp/datasets/c7f4d6fb-2bda-4e68-975e-c9dc7dd4d615) ## Fulltext elements: [O, As, Hg]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, 74.92, 200.6]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: 6type_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: [0, 2] 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]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [4.233422201904391e-01, 5.214112715939624e-03, 2.077309944120904e-01, 6.924991100704958e+00, 1.222018306517811e+03, 0.000000000000000e+00, 3.253416716796690e+02, 1.148108361906821e+01, 1.797120502888970e+03, 8.256616619779577e-01, -2.774190610483498e+01, 1.536816849181510e+02, -3.732477016509265e+04, 1.178925083071462e+02, 1.322410032670673e+06, 0.000000000000000e+00, 4.606154247398395e+03, 0.000000000000000e+00, 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