iterations/neb0_image06_iter39_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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0.4194223300000033 0.4471414899999999 0.2865797299999997
0.3818987599999986 0.4155967800000013 0.5115819500000001
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0.6375823199999999 0.7328074699999974 0.4178508500000007
0.6290635800000004 0.4208172100000027 0.4236333699999975
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0.4840993400000002 0.4680558200000036 0.3933506699999967
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0.3687339900000026 0.4914606399999997 0.6334319699999966
0.4639998500000004 0.5331228000000010 0.2967700600000001
0.3025047100000009 0.6067334199999976 0.2323611300000010
0.6404953600000027 0.6442885599999997 0.5347964099999984
0.7049284400000033 0.6489136100000010 0.4655733199999972
0.5947167400000026 0.6180032800000035 0.2973865100000026
0.6060127900000012 0.6291935300000020 0.7079886200000018
0.6738045099999965 0.4797460099999995 0.6215156800000017
0.5572048699999996 0.5995122699999982 0.5208017100000006
0.5829783000000006 0.8287301599999992 0.4359603699999965
0.5868466299999966 0.7845883499999999 0.5389742600000034
0.5506186799999995 0.7569313099999988 0.4538079900000014
0.6360020799999972 0.7533817999999997 0.2684923600000033
0.6793328299999999 0.8114751600000005 0.4869487899999996
0.6357126300000004 0.4193898500000017 0.3180587000000017
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0.5192996399999998 0.2928326199999987 0.3821390100000031
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0.5165191099999973 0.4176945700000019 0.5702243200000012
0.5375910300000015 0.2950951099999983 0.5567835200000033
0.5938725000000034 0.4337442899999999 0.6470673099999971
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0.6171878700000022 0.2711495300000024 0.2595822400000003
0.6012798100000012 0.2177172600000006 0.3405002699999997
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