./iterations/neb0_image08_iter25_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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0.5372671800000006 0.6446520900000010 0.3796400199999965
0.6197012800000010 0.4894299799999970 0.5089233300000018
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0.6918054699999985 0.4076420399999989 0.2965423799999982
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0.4930220500000004 0.2697605999999979 0.1878061399999993
0.5327519000000009 0.2110637999999980 0.1947894600000026
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