# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/f861c85c-6ba9-4895-8bbd-4a7cedfbb6d0/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 GaSe / P-6m2 (187) / materials id 1572](https://mdr.nims.go.jp/datasets/3b200f24-2687-4c01-8cf3-84e078407115) ## Fulltext elements: [Ga, Se]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, 78.96]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: [1.695868799268029e+00, 7.618078278325966e-01, -1.501934100499262e+03, 6.232236999985706e+02, 3.179509683019947e+03, -3.926655769647487e+02, 5.578502362207714e+06, 0.000000000000000e+00, 4.079879146829329e+02, -3.171235157561092e+03, 3.508500743260892e+03, 3.344224653803855e+07, 0.000000000000000e+00, 3.336359035365205e+02, -1.279280109382665e+04, 1.405773668097228e+04, 6.780850327413495e+07, 0.000000000000000e+00, 2.630599813324995e+02, 2.709260295876278e+03, -2.247790231318145e+02, 0.000000000000000e+00, 0.000000000000000e+00, -2.223634070538916e+02, 3.851605155309248e+03, -5.024449602560230e+01, 0.000000000000000e+00, 0.000000000000000e+00, -2.168563900673620e+02, 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