./Stage_1/O XDATCAR output for 45: Energy of formation TMOS (re-do job_930)
Status: finishedEnergy of formation TMOS (re-do job_930) 1 10.000000 0.000000 0.000000 0.000000 10.000000 0.000000 0.000000 0.000000 10.000000 O 2 Direct configuration= 1 0.50000000 0.50000000 0.43829600 0.50000000 0.50000000 0.56170400