# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/42a2579e-5c8e-43c5-bab9-377543b0d3e2/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 Ga2I3 / P2_1/c (14) / materials id 636675](https://mdr.nims.go.jp/datasets/3feb41c1-f8ea-44f1-b3ca-a59f728cb3ae) ## Fulltext elements: [Ga, I]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: [69.72, 126.9]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: [2.258649989650698e+00, 9.228454114091318e-01, -1.290768648427316e+04, 2.753827011766147e+02, 1.225076365116344e+04, 6.974690557396402e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.693508583457556e+02, -1.430515059118766e+04, 5.829002070249934e+03, 0.000000000000000e+00, 0.000000000000000e+00, 1.285056228010466e+02, -2.434383458775114e+04, -1.200932450823693e+04, 0.000000000000000e+00, 0.000000000000000e+00, 1.064854066299794e+02, 8.806479648184455e+03, 5.295889023952670e+03, 0.000000000000000e+00, 0.000000000000000e+00, -9.737507223400381e+01, -4.620637729441482e+03, -6.315534585207498e+03, 0.000000000000000e+00, 0.000000000000000e+00, -8.595765321875407e+01, 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