iterations/neb0_image01_iter23_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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0.4819356100000007 0.5715893899999998 0.3008784100000028
0.4649389699999986 0.5788304399999973 0.4068249899999969
0.6535716400000027 0.6381966100000014 0.5801011699999989
0.6917526200000026 0.6179168600000011 0.4945491499999974
0.6282216000000034 0.6234375000000014 0.3276148699999979
0.5612009900000032 0.5689988199999974 0.5803658800000022
0.5389936699999964 0.5419804400000032 0.4764247399999988
0.5466294900000008 0.6288763800000012 0.4973347500000003
0.6069835500000025 0.8241866899999977 0.4774921899999995
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0.7032818300000017 0.7997221800000034 0.5224812399999976
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0.5412800300000029 0.4140106199999991 0.5863131500000023
0.5613214799999966 0.2952098499999991 0.5917830200000012
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0.6407209099999989 0.3543622500000012 0.6801792099999986
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0.6281655200000031 0.2182875100000032 0.3889928600000019
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