iterations/neb0_image04_iter41_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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0.6495983000000010 0.6454009999999997 0.5389829599999985
0.7097046499999990 0.6619104600000014 0.4640159599999976
0.5950029199999989 0.6098267100000001 0.3025418000000002
0.6019297200000011 0.6349027300000003 0.7454459799999995
0.6888493800000006 0.4700946900000034 0.6378816100000009
0.5638571100000007 0.5994706399999998 0.5361696699999996
0.5870452599999965 0.8368054199999975 0.4354887399999967
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0.5149321299999983 0.4021053000000023 0.5822628399999985
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0.5954873700000007 0.2132915600000018 0.3308325499999967
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