# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ff7ac511-1885-4092-a917-ba32aee9970e/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 GaS / P6_3/mmc (194) / materials id 2507](https://mdr.nims.go.jp/datasets/a307ff53-3b4c-4351-90fe-69a28a40a523) ## Fulltext elements: [S, Ga]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]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [8.159780275588222e+02, 4.194847488189979e-01, 2.519783979409096e+00, 0.000000000000000e+00, 1.213809798755689e+06, 1.124851737902034e+02, -9.049775191249707e+02, 5.037498366847227e+02, 0.000000000000000e+00, -1.178393194458524e+06, 7.567040491034766e+02, 6.273246466441398e+02, 3.969582414394247e+02, 0.000000000000000e+00, -2.304942279154859e+06, 2.030060023251972e+03, 3.059943169380241e+03, 3.687383129242240e+02, 0.000000000000000e+00, 7.259245881418022e+06, 7.142163822487213e+01, 3.665177279027096e+02, 2.825990883090711e+02, 0.000000000000000e+00, 1.304306460058651e+06, -7.787982846658534e+01, 2.288157581749967e+03, -2.062962458872888e+02, 0.000000000000000e+00, 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