iterations/neb0_image08_iter46_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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0.3938361900000018 0.5988305999999994 0.3508952700000023
0.6407401199999967 0.6454981400000008 0.5378193999999965
0.6980430999999996 0.6420999099999989 0.4666881300000014
0.5964027300000012 0.6238636499999970 0.2948664199999982
0.5802736400000015 0.6116719700000033 0.6158206699999980
0.5677715500000033 0.5157971699999990 0.5234301500000029
0.5384952599999977 0.6093298799999971 0.4948327099999972
0.5832943599999965 0.8273490899999985 0.4372772500000011
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0.6341883799999977 0.7542327700000016 0.2704328000000018
0.6802339799999970 0.8100087899999977 0.4848563899999974
0.6360316800000021 0.4171691800000019 0.3174878100000029
0.6657953699999979 0.3998123000000007 0.4724541499999972
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0.5508431700000003 0.3670290399999985 0.2658982199999969
0.5195813999999999 0.4178002900000024 0.5589403500000003
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0.6198585400000027 0.3572975200000030 0.6443148099999974
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0.6028959499999971 0.2222702999999981 0.3453444299999973
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