# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8b8be280-271b-4633-a924-897db8e6d825/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 Ho2HgO4 / C2/m (12) / materials id 11706](https://mdr.nims.go.jp/datasets/9ab91d26-977b-44d6-ad21-9c3b40e4de52) ## Fulltext elements: [O, Ho, 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, 164.9, 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: [4.360585209891521e+00, 1.107538635220527e+00, 2.199703541655194e-01, 9.958855280784229e+02, 2.648285255487738e+01, -1.587174053681639e+00, -6.350606217081921e+03, 2.673320550759119e+03, 3.032954209010115e+03, 1.131237162537027e+02, -5.395866416288629e+02, 1.086331633616636e+05, 8.058882038903922e+04, 6.981733954748249e+01, -3.065392986793384e+04, -2.209283667617981e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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