iterations/neb0_image06_iter71_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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0.6278511699999996 0.5661461500000016 0.4578336499999978
0.6445068399999982 0.6400132099999993 0.3067235700000026
0.4684402099999971 0.4948975599999983 0.4412436699999986
0.4442474399999981 0.6009205599999987 0.2670221600000033
0.5126263499999979 0.6922671900000026 0.4165391700000001
0.6062379999999976 0.8240807700000019 0.4775815400000027
0.6060032099999972 0.7788103399999997 0.5836781799999997
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0.6298584600000012 0.2251030099999980 0.3990263800000022
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