CO2  (P1) ~ CO2  (VASP) test-14
    1.0
            6.55650000 0.00000000 0.00000000 
            0.00000000 4.00000000 0.00000000 
            0.00000000 0.00000000 4.00000000 
  O C
  2 1
Direct
        0.30837769 0.52704125 0.51000000      	#	1      	O1
        0.69829609 0.52704125 0.51000000      	#	2      	O2
        0.50333689 0.52704125 0.51000000      	#	3      	C