iterations/neb0_image07_iter16_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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0.6123979500000019 0.6262096900000031 0.3022537499999984
0.5464375099999970 0.5724237800000012 0.5582808599999964
0.5285538400000007 0.5435654300000010 0.4554751900000014
0.5316863899999973 0.6312367199999969 0.4726672399999998
0.5912538400000003 0.8270464599999983 0.4519897699999973
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0.5455651199999991 0.2980872999999988 0.5664555899999968
0.6045401299999966 0.4348933799999983 0.6566165799999979
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0.6275081699999987 0.2700620700000016 0.2780399500000001
0.6124215800000030 0.2211829700000010 0.3634728700000025
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