./iterations/neb0_image02_iter32_CONTCAR output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
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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0.6299949599999977 0.6419814500000030 0.2756735999999975
0.5399157200000033 0.6637009299999974 0.3765314600000025
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0.5995637600000023 0.5873522999999992 0.5511491899999967
0.6380740099999969 0.7994813199999982 0.5211838800000024
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0.6113160299999976 0.4699565499999991 0.1690868199999969
0.5709057299999998 0.2687104099999971 0.3743184300000024
0.5141482000000011 0.3572989999999976 0.3564588200000003
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0.6530177799999990 0.2790791500000012 0.2868598399999982
0.7035443299999997 0.4374374300000028 0.2941124700000017
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0.5445283299999986 0.2408056299999970 0.1922599700000021
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