# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/29906fb1-9686-470e-a110-48cc4e3fdd20/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 Al2HgS4 / I-4 (82) / materials id 7906](https://mdr.nims.go.jp/datasets/bacdd198-89c5-4ddb-88d7-0988e686153a) ## Fulltext elements: [Al, S, 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: [26.98, 32.07, 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: [4.068753153764854e+02, 2.952397101875813e-01, 5.077727203062601e+02, 1.280901856716606e+02, 5.795783506929907e-01, 0.000000000000000e+00, 0.000000000000000e+00, 2.270578596583377e+06, 0.000000000000000e+00, 6.180435612538722e+01, 1.260573072414991e+06, 6.235984215144003e+04, -1.098664399040948e+02, 0.000000000000000e+00, 2.754571214683617e+05, 0.000000000000000e+00, 0.000000000000000e+00, -5.215051108516918e+05, 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