iterations/neb0_image01_iter35_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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0.4655317799999992 0.5788941599999973 0.4066865699999980
0.6538793200000015 0.6385918699999991 0.5800889300000023
0.6918508700000032 0.6190481499999976 0.4941376599999998
0.6282257299999969 0.6232887700000020 0.3274913600000033
0.5605288799999997 0.5693783800000034 0.5812690699999976
0.5388891599999965 0.5417530699999986 0.4773360800000006
0.5462509500000010 0.6284653900000023 0.4975444100000033
0.6068380199999979 0.8246250199999992 0.4773173099999966
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0.6600926200000004 0.4153272300000026 0.3593016100000028
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0.5617328499999985 0.2943240099999969 0.5914935099999994
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0.6406898500000011 0.3546637099999970 0.6805961800000020
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0.6275781800000004 0.2179485799999981 0.3879986199999976
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