iterations/neb0_image04_iter18_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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0.2622675699999988 0.3975893499999970 0.2694671499999970
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0.4718780800000033 0.5774285700000021 0.4181513300000006
0.6457873599999999 0.6395967200000001 0.5674282900000023
0.6840382299999987 0.6193943899999965 0.4819269300000002
0.6203907900000019 0.6248118600000012 0.3150185499999978
0.5536664600000023 0.5706321799999969 0.5686682300000001
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0.5390628899999967 0.6302435400000022 0.4849742399999997
0.5991909299999989 0.8256373199999985 0.4648218399999990
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0.6512679300000030 0.7513511900000012 0.3010578600000002
0.6955017599999991 0.8011638300000001 0.5098439300000024
0.6522539699999967 0.4166005699999999 0.3461825400000009
0.6799330999999995 0.4012568300000012 0.4977415700000023
0.5340494200000023 0.2882373899999990 0.4052910699999970
0.5676388999999986 0.3630644699999976 0.2928719299999969
0.5334802100000005 0.4154711300000002 0.5737968199999983
0.5535389599999974 0.2966283000000018 0.5791672800000001
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0.6329622200000031 0.3557964499999997 0.6675941700000010
0.6354424399999985 0.2685867599999980 0.2908475500000023
0.6203504799999990 0.2197157700000005 0.3763287599999998
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