iterations/neb0_image02_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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0.6512194800000017 0.6387451599999991 0.5756954800000003
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0.6253462600000006 0.6236813299999966 0.3235526300000018
0.5585473499999978 0.5700394899999992 0.5777518900000018
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0.5440497100000030 0.6289956099999969 0.4935537400000030
0.6043510299999966 0.8248922300000032 0.4731805300000005
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0.7005835000000005 0.8003996400000020 0.5180016400000014
0.6574854999999999 0.4157141999999965 0.3545595100000014
0.6853012699999965 0.4004947500000000 0.5063968799999969
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0.5729859799999986 0.3625652400000021 0.3012071100000000
0.5385264599999999 0.4136779800000028 0.5827108800000005
0.5591192199999995 0.2951034600000000 0.5876954599999991
0.6173049800000001 0.4323790500000015 0.6775966200000028
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0.6403306400000019 0.2674600699999985 0.2985176199999984
0.6251314699999995 0.2182362100000006 0.3836663100000024
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