iterations/neb0_image07_iter74_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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0.6409128900000027 0.6435591099999982 0.5531050499999992
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0.6095266399999986 0.6265602400000034 0.3030586699999986
0.5540568799999974 0.5793411599999985 0.5680767099999997
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0.5445986699999992 0.2981829599999983 0.5634938999999974
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0.6104306499999979 0.2211419899999996 0.3602583699999968
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