iterations/neb0_image08_iter69_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
0.2204823399999967 0.5253221999999980 0.3368196200000000
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0.6346193899999975 0.7345956899999990 0.4271712399999998
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0.3193941899999970 0.4736677799999995 0.5686155799999995
0.3711058100000031 0.4876379800000024 0.6239651100000003
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0.4787850000000020 0.5525958200000005 0.3921446299999971
0.6373086299999997 0.6440650799999972 0.5511019300000015
0.6731819099999967 0.6191714899999994 0.4546265000000034
0.6079160600000009 0.6268936399999987 0.3023171000000033
0.5483571199999986 0.5775283199999990 0.5583156499999973
0.5403349999999989 0.5457982900000005 0.4705630699999972
0.5343353199999967 0.6269185499999992 0.4850414000000001
0.5897623999999979 0.8243996100000004 0.4452475000000007
0.5911571400000000 0.7814942999999985 0.5481057399999969
0.5594627799999969 0.7499298099999976 0.4594178899999974
0.6394767199999976 0.7539479599999979 0.2849315699999977
0.6844440699999979 0.8056151199999988 0.4901646100000008
0.6411168400000022 0.4185114400000032 0.3262164100000007
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0.5233825500000009 0.2919626400000013 0.3877756799999972
0.5558181700000020 0.3663516700000002 0.2734406399999969
0.5230559099999965 0.4166544899999991 0.5559381899999991
0.5428343600000005 0.2993619499999980 0.5591606999999996
0.6010572900000000 0.4344102000000021 0.6521357900000027
0.6222252900000029 0.3572767499999969 0.6481646800000007
0.6237399400000001 0.2706427000000033 0.2721060900000012
0.6085173000000026 0.2217709099999965 0.3568810299999967
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