# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/16e04095-7ef7-4df2-9743-9aaf64f0cd7a/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 GeAs / C2/m (12) / materials id 9548](https://mdr.nims.go.jp/datasets/4bc00a22-3e69-4acf-9e07-829784d70abe) ## Fulltext elements: [Ge, As]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: [72.61, 74.92]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: [-3.414944872623810e+00, -1.160069140469660e+00, 3.908356505317687e+02, 4.415124653367568e+02, -1.106617006877941e+04, -2.401577135171774e+03, -2.490605648412254e+05, -1.947704502710854e+07, -1.480061688433279e+03, 1.052146005492451e+04, 2.173464181201238e+04, -4.169759387678381e+05, -2.121011578007814e+07, 1.922090472284244e+03, 2.948537179344419e+04, 2.309059863556270e+04, -1.596462708324937e+06, -5.995205996739926e+06, -1.886603887876365e+02, -8.344847933430381e+03, -2.273215589470954e+03, 1.155683562653262e+06, 3.994529680550855e+07, -4.194861622114957e+02, -1.094334991932953e+02, -2.048919179397834e+03, 2.800277051252599e+05, 2.950310337287622e+06, 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