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path: root/sim/src/tests/jigs_to_several_atoms/test_006_anchors_to_100_atoms.xyzcmp
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Frame 0, Iteration: 100
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O 2.689992 -0.786995 0.037005
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H 3.912102 0.841747 -0.395323
H 6.215373 0.903391 0.261645
H 6.297528 0.138889 -1.375133
H 8.596916 0.228727 1.429478
H 8.624246 0.760153 -0.375373
H 11.070321 0.825918 0.333049
H 10.966298 0.193059 -1.330982
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H -57.705883 -0.128698 -0.684177
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H -55.355358 0.728215 -0.743975
H -52.877935 1.133679 1.394213
H -52.967996 1.562194 -0.439816
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H -48.063504 2.163462 -0.193337
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H -43.228534 1.476857 1.592418
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H -36.210715 1.113324 -1.174482
H -33.822130 1.121418 1.603761
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