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path: root/sim/src/tests/singlebond_stretch/test_H_BH2.xyzcmp
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H_BH2.mmp
B 0.000000 0.000000 0.000000
H -1.169000 -0.242000 0.000000
H 0.584000 0.121000 -1.034000
H 0.584000 0.121000 1.034000