path: root/sim/src/tests/singlebond_stretch/test_HS_AlH2.xyzcmp

5
HS_AlH2.mmp
S -1.048000 -0.075000 0.000000
Al 1.149000 0.037000 0.000000
H -1.267000 1.258000 0.000000
H 1.830000 1.464000 0.000000
H 1.915000 -1.343000 0.000000