iterations/neb0_image07_iter18_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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0.6377116000000029 0.6409987799999968 0.5540823600000024
0.6764560299999971 0.6210990499999980 0.4688938999999976
0.6121525000000005 0.6260648299999971 0.3021528399999980
0.5470394199999973 0.5729940599999992 0.5604313899999980
0.5306098599999984 0.5426099399999984 0.4571747299999984
0.5319834299999968 0.6310203700000017 0.4730633900000001
0.5911318100000003 0.8270571400000009 0.4517690099999996
0.5939261999999985 0.7821979900000002 0.5541662600000024
0.5598094899999992 0.7525666000000015 0.4660237300000034
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0.6441546599999981 0.4181106999999997 0.3331219599999997
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0.5454326600000030 0.2980854300000004 0.5662396500000000
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0.6123020300000022 0.2210665200000008 0.3632829299999969
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