./neb0_image09_CONTCAR output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
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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0.6510378799999970 0.5894618700000009 0.3708676199999985
0.6168868500000002 0.6085943499999971 0.2784116099999991
0.5264959200000021 0.6299745800000025 0.3791260799999989
0.6177034199999980 0.4867588799999965 0.5070524400000025
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0.6248685699999967 0.7661159900000030 0.5239609500000029
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0.6397277900000020 0.2455602100000007 0.2896402300000034
0.6902231799999967 0.4039786399999983 0.2968886800000021
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0.5313007600000006 0.2074871399999978 0.1951729800000024
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