iterations/neb0_image04_iter43_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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0.6459374499999981 0.6398217300000013 0.5663429299999976
0.6850861100000003 0.6210375499999969 0.4812482299999985
0.6194141799999997 0.6242452899999975 0.3145447200000007
0.5555860899999985 0.5731513699999979 0.5753685299999987
0.5380929600000002 0.5402557099999967 0.4712065499999980
0.5400105499999981 0.6290505899999985 0.4869744100000020
0.5987359800000007 0.8260590800000003 0.4637221099999991
0.6016121299999995 0.7811416799999975 0.5661600199999981
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0.6509700200000026 0.7514348099999992 0.2997337999999985
0.6950708999999975 0.8017107900000013 0.5092602599999978
0.6518813799999990 0.4169707900000006 0.3458996399999990
0.6798053999999993 0.4013437999999994 0.4977436300000022
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0.5327820600000024 0.4149405400000035 0.5741259600000035
0.5534528399999985 0.2961328499999993 0.5783788700000017
0.6120027600000029 0.4337643699999987 0.6682640800000001
0.6326850000000022 0.3561108299999987 0.6673231299999998
0.6346625799999970 0.2686507000000020 0.2893980999999997
0.6194105699999994 0.2194665800000024 0.3745789800000026
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