iterations/neb0_image08_iter27_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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0.4698041199999992 0.5775139300000021 0.4236722099999994
0.6350250699999975 0.6414891599999990 0.5489188199999973
0.6756010699999990 0.6226224700000031 0.4644845700000033
0.6087061599999970 0.6264391799999984 0.2974295599999977
0.5468496200000033 0.5762058199999984 0.5615373999999989
0.5318016000000014 0.5404460099999966 0.4567554099999995
0.5300524299999978 0.6306877299999982 0.4702664100000007
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0.6844620199999980 0.8034221500000029 0.4919125199999996
0.6411757099999988 0.4185712999999964 0.3281742200000011
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0.5227308699999966 0.4175266399999984 0.5572800899999990
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