iterations/neb0_image06_iter28_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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0.1052378300000001 0.5838396600000024 0.2991751899999997
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0.4941077200000024 0.5680136499999975 0.3205498499999990
0.4727429699999988 0.5771178099999972 0.4227072799999974
0.6404888100000008 0.6405638299999978 0.5584992200000016
0.6795070800000005 0.6208391999999989 0.4733340200000029
0.6147984600000029 0.6256106800000012 0.3064265800000001
0.5499375699999973 0.5729494400000021 0.5638128100000017
0.5304881599999973 0.5423183799999975 0.4596354000000034
0.5344191100000018 0.6307941199999973 0.4775586000000018
0.5937965099999971 0.8265730999999974 0.4560771200000033
0.5966239299999998 0.7817055499999981 0.5583682800000034
0.5624377400000000 0.7520813699999991 0.4703509799999992
0.6458725600000008 0.7523061999999996 0.2922536399999984
0.6900726599999985 0.8022455600000029 0.5011397500000001
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0.6745968199999979 0.4022680599999973 0.4890441800000005
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0.5281265699999977 0.4164704399999977 0.5655698599999965
0.5481082599999993 0.2976428899999988 0.5705550300000013
0.6070066099999991 0.4345314899999977 0.6607756200000026
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0.6300284100000013 0.2695450100000016 0.2820754299999990
0.6149476599999986 0.2206040800000011 0.3674166899999989
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