iterations/neb0_image08_iter51_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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0.2762682799999965 0.3945845499999976 0.2926004699999964
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0.4468489699999978 0.4662874099999996 0.3467171799999988
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0.4300939499999998 0.5893363499999964 0.3803205999999975
0.6388595199999969 0.6442471299999966 0.5429778099999965
0.6859940900000012 0.6333719300000027 0.4659823699999990
0.6018189899999982 0.6242227500000013 0.2973131999999978
0.5638225000000006 0.5934778000000023 0.5871193500000018
0.5532986300000005 0.5292481899999970 0.4975748999999965
0.5350697499999981 0.6168937099999994 0.4838679300000024
0.5854481100000015 0.8275367199999977 0.4415123799999989
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0.6382743400000024 0.4176902399999989 0.3224702899999983
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0.5207507000000007 0.4178748599999977 0.5579294599999969
0.5395027699999986 0.2983290399999987 0.5566734800000006
0.5982268200000007 0.4348173699999975 0.6473771900000003
0.6200842900000012 0.3584292500000004 0.6463483499999967
0.6209718599999974 0.2709611399999972 0.2674406399999967
0.6058568199999996 0.2213359300000022 0.3519562399999998
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