sim/src/tests/singlebond_stretch/test_H3Si_SiH3.xyzcmp


1
2
3
4
5
6
7
8
9
10

8
H3Si_SiH3.mmp
Si 0.000000 0.000000 1.179000
Si 0.000000 0.000000 -1.179000
H -1.209000 -0.698000 -1.701000
H 1.209000 -0.698000 -1.701000
H 0.000000 -1.396000 1.701000
H 1.209000 0.698000 1.701000
H -1.209000 0.698000 1.701000
H 0.000000 1.396000 -1.701000