species,atoms,charge,independent_solution_E_Eh,independent_SPH_RRHO_Eh,independent_raw_solution_G_Eh,native_G_ensemble_comment_Eh acid,5,0,-11.293532084034,0.007431120471,-11.286100963563,-11.28610096 base,4,-1,-11.10783231927,-0.004709135502,-11.112541454772,-10.86207834