sim/src/tests/singlebond_stretch/test_HO_AlH2.xyzcmp


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HO_AlH2.mmp
O -1.100000 -0.071000 0.000000
Al 0.616000 0.015000 0.000000
H -1.722000 0.662000 0.000000
H 1.330000 1.429000 0.000000
H 1.363000 -1.372000 0.000000