iterations/neb0_image05_iter68_CONTCAR output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
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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0.2672027099999994 0.4895741699999974 0.2816279899999969
0.1670141199999975 0.5355187199999989 0.2427479400000010
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0.3603262700000016 0.4902606200000008 0.6114689500000026
0.4906197500000005 0.5694225800000012 0.3131401400000016
0.4626486000000014 0.5809713100000025 0.4071302199999991
0.6455175800000035 0.6417679899999982 0.5620753999999977
0.6840764499999992 0.6232919600000031 0.4773026100000024
0.6155398300000030 0.6252355299999977 0.3111148400000019
0.5568717700000008 0.5760502999999986 0.5741119300000008
0.5348814999999973 0.5392563300000006 0.4771698899999990
0.5371137699999977 0.6276239900000036 0.4856589799999966
0.5960548500000016 0.8259111500000031 0.4589495499999998
0.5988631900000030 0.7814917700000024 0.5613128899999964
0.5650123300000018 0.7514992199999995 0.4732776099999967
0.6478074600000028 0.7520236399999973 0.2947603000000001
0.6924973899999998 0.8032927100000009 0.5044161300000027
0.6489963499999973 0.4170151399999966 0.3402633999999978
0.6768925599999989 0.4007194400000031 0.4920824300000035
0.5306397100000027 0.2893846099999990 0.4000595400000009
0.5640643999999995 0.3642032099999994 0.2871674399999975
0.5300121599999983 0.4154103799999973 0.5690230700000001
0.5504053900000017 0.2967911900000004 0.5734370699999971
0.6087520199999972 0.4330837199999991 0.6639263499999970
0.6293732000000034 0.3571125400000028 0.6621030299999973
0.6317255399999979 0.2692775299999965 0.2840868099999980
0.6161034200000017 0.2197057500000028 0.3695373400000008
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