CuCO1.out
         0         0         3
timestep         1         3         0         0    0.000100
Cu      
  -1.1572720   4.5542970  -3.3609770
C       
  -0.4863430   3.3790260  -1.9443220
O       
   0.2282750   2.4474530  -1.7986780
timestep        21         3         0         0    0.000100
Cu      
  -1.1572720   4.5542970  -3.3609770
C       
  -0.4863430   3.3790260  -1.9443220
O       
   0.2282750   2.4474530  -1.7986780