# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5aaa5908-015a-4459-a562-9346593be983/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 Ga2TeS2 / I4_1md (109) / materials id 27255](https://mdr.nims.go.jp/datasets/3821af6c-3371-4b95-8e01-9bc99aea7db0) ## Fulltext elements: [S, Ga, Te]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: [32.07, 69.72, 127.6]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: [4.315025000713882e+01, 2.424309204611459e-01, -5.978878581374527e+02, 1.155449086874383e+01, 1.652084738474588e+00, -1.765895066258377e+05, 0.000000000000000e+00, 8.784234763203480e+03, 0.000000000000000e+00, 5.120793313532014e+01, 0.000000000000000e+00, 6.850276523347803e+03, 3.284024628850767e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -7.086275433471533e+04, -4.705402286235870e+04, 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