Energy of formation TMOS (re-do job_930)
    1.0
            0.00000000 1.78336000 1.78336000 
            1.78336000 0.00000000 1.78336000 
            1.78336000 1.78336000 0.00000000 
  C
  2
Direct
        0.37500000 0.37500000 0.37500000      	#	1      	C
        0.62500000 0.62500000 0.62500000      	#	2      	C