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path: root/sim/src/tests/singlebond_stretch/test_HS_SH.xyzcmp
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HS_SH.mmp
S 1.075000 0.051000 0.000000
S -1.075000 -0.051000 0.000000
H 1.206000 -1.291000 0.000000
H -1.206000 1.291000 0.000000