Si2
1.0
3.3641499856336465 -2.5027128e-09 1.94229273881412
1.121382991333525 3.1717517190189715 1.9422927388141193
-2.5909987e-09 -1.8321133e-09 3.884586486670313
Si
2
Cartesian
3.92483875 2.77528125 6.7980237500000005
0.56069125 0.39646875 0.9711462500000001

