iterations/neb0_image07_iter1_CONTCAR output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
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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0.3602348800000001 0.4039783200000002 0.6341827299999991
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0.1101583100000028 0.4409502199999977 0.6232899500000002
0.5622340299999991 0.3834237599999994 0.2626942999999997
0.6169768600000012 0.3568014100000028 0.2890470899999968
0.6039481800000033 0.2890115499999979 0.4761609999999976
0.4985017300000010 0.4269001600000024 0.4176951199999976
0.5164026200000009 0.4154042899999979 0.5297689200000022
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0.4954595000000026 0.1988617499999989 0.2624310699999981
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0.5541347099999996 0.6389296700000031 0.4150682599999982
0.6207995500000010 0.7086200600000012 0.4255922999999981
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0.6465422099999998 0.6241107600000007 0.2734988300000012
0.7083934799999980 0.5963964299999986 0.6508861399999972
0.7039719099999999 0.6727052499999999 0.6057661700000025
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