./iterations/neb0_image07_iter23_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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0.6206567899999982 0.6173084300000014 0.2773382000000026
0.5366535499999969 0.6472133999999983 0.3794569499999980
0.6214521699999977 0.4950224999999975 0.5075994500000007
0.5628703300000026 0.4868923300000034 0.5232586600000033
0.5899901700000001 0.5627222500000002 0.5532788900000014
0.6283150200000023 0.7748995600000015 0.5232748099999966
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0.6937892099999985 0.4128028299999968 0.2961970599999972
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0.5347293000000022 0.2162897400000006 0.1944614499999986
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