iterations/neb0_image07_iter57_CONTCAR output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
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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0.4303616099999985 0.5875824800000018 0.3606323599999968
0.6440783199999984 0.6451133699999971 0.5481576999999973
0.6885710299999985 0.6349077499999964 0.4712816500000017
0.6036926800000018 0.6235626200000013 0.3028865400000029
0.5686512300000004 0.5935024200000001 0.5897307400000003
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0.5366506100000024 0.6152651499999990 0.4905146400000007
0.5881937999999991 0.8266764199999983 0.4459304700000004
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