# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/da6dc889-9b85-40b4-b163-532f65bc1078/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 Hg7(PO5)2 / P2_1/c (14) / materials id 29958](https://mdr.nims.go.jp/datasets/411a1a43-1a46-4300-af6c-c0f8d55c4797) ## Fulltext elements: [O, P, 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, 30.97, 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: [1.523764382956678e+00, -3.151946027439941e-02, 3.612182446143001e-01, -1.445345888748272e+04, 1.608212328442417e+01, 5.171096283829267e+00, 8.692715909456888e+02, 2.908480945950211e+01, -4.611518269323713e+02, 6.765641883504491e-01, -9.855560432736164e+00, 5.058872621665047e+04, 1.947694666373245e+02, 7.389629511107280e+01, 2.181464974952363e+04, 2.059149842416953e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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