./iterations/neb0_image01_iter37_CONTCAR output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
No title
1.00000000000000
30.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 20.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 15.0000000000000000
C Si O N H
6 10 8 6 42
Direct
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0.6326747499999996 0.5250667500000006 0.5041494399999991
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0.6399651899999981 0.8042840600000005 0.5208455900000004
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0.6549263599999975 0.2838357899999977 0.2864667999999995
0.7054284600000003 0.4422979699999985 0.2937323599999999
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0.5463939400000015 0.2456888600000013 0.1919543899999994
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