structure,native_energy_Eh,independent_xTB_energy_Eh,absolute_error_Eh,OO_distance_A trialopt-final,-10.1399386266,-10.139938621587,5.012999793052586e-09,4.6399606934627435 compressed-0,-10.14900686,-10.149006861408,1.4079990506843387e-09,2.8359497569355048 compressed-1,-10.14125043,-10.141250426839,3.1610003503601547e-09,11.260736291599322