iterations/neb0_image03_iter6_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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0.4699843000000001 0.5778813800000009 0.4149909599999972
0.6483882300000019 0.6391260799999969 0.5717454400000008
0.6865767999999974 0.6188050700000005 0.4862066199999973
0.6230635399999969 0.6244048499999977 0.3192610799999969
0.5561083600000032 0.5699547899999970 0.5719876100000008
0.5339888399999992 0.5429262199999982 0.4681055400000034
0.5415163899999982 0.6298638100000034 0.4889737399999987
0.6018230399999993 0.8251078799999974 0.4691305200000002
0.6046338100000028 0.7802057299999987 0.5714706300000003
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0.6538889300000008 0.7508782700000012 0.3053590600000007
0.6981239300000013 0.8006283599999975 0.5140783399999975
0.6548839299999969 0.4160720699999985 0.3503798400000022
0.6825323500000025 0.4007473699999977 0.5019343900000024
0.5366823499999995 0.2877286200000029 0.4095923100000007
0.5702809300000027 0.3625909699999994 0.2971352799999991
0.5361481600000033 0.4150173600000002 0.5779556499999998
0.5561377300000032 0.2961996100000022 0.5834545399999982
0.6151225099999991 0.4329787699999983 0.6736287599999997
0.6355651800000004 0.3552895400000011 0.6718027900000010
0.6380982399999979 0.2680956499999994 0.2951860200000027
0.6230258800000001 0.2192704200000009 0.3806692599999977
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