iterations/neb0_image07_iter20_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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0.6765808600000014 0.6210990699999996 0.4690039899999974
0.6121918600000029 0.6260461000000035 0.3022370600000031
0.5470525499999965 0.5730238200000031 0.5599988600000003
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0.5911910199999966 0.8270426400000019 0.4518654999999967
0.5939833600000028 0.7821851499999966 0.5542382699999990
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0.6123821699999965 0.2210179699999983 0.3634091799999979
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