sim/src/tests/singlebond_stretch/test_H3C_SiH3.xyzcmp


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H3C_SiH3.mmp
Si 0.000000 0.000000 -0.608000
C 0.000000 0.000000 1.281000
H -0.697000 1.207000 -1.136000
H -0.697000 -1.207000 -1.136000
H 1.394000 0.000000 -1.136000
H -1.022000 0.000000 1.675000
H 0.511000 -0.886000 1.675000
H 0.511000 0.886000 1.675000