iterations/neb0_image02_iter75_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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0.6509096500000027 0.6386496800000003 0.5760858000000013
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0.5588612900000030 0.5690718299999986 0.5751411999999974
0.5359228499999986 0.5428403700000004 0.4713574199999968
0.5440485299999978 0.6297357899999980 0.4929474099999993
0.6044043099999996 0.8243626100000014 0.4733241599999971
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0.6576249000000018 0.4155231599999993 0.3535442599999996
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0.5586133899999979 0.2960378800000001 0.5875828499999969
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0.6258693500000021 0.2187376099999980 0.3862893299999968
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