iterations/neb0_image08_iter33_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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0.6353817899999967 0.6418245500000026 0.5477574000000018
0.6775074999999973 0.6243376799999965 0.4645047400000024
0.6074903900000024 0.6260457500000030 0.2971456799999999
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0.5369611400000025 0.5377317900000023 0.4640325499999989
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0.6406489600000000 0.4184711500000020 0.3269460599999974
0.6686208599999972 0.4029843400000033 0.4791447799999986
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0.6007628600000032 0.4354895399999990 0.6508240100000009
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