iterations/neb0_image05_iter47_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
0.2139367199999995 0.5272275399999984 0.3233650299999979
0.2656955200000013 0.3965294099999994 0.2756205199999968
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0.3588215700000035 0.5396638599999974 0.3584153299999997
0.4447173900000010 0.4731305199999980 0.3497447700000009
0.3731439499999993 0.4217186500000025 0.4833981100000031
0.6105903699999971 0.5769580899999980 0.4463508700000034
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0.3070011200000025 0.5111487499999967 0.3532889399999988
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0.6921340399999991 0.7685724600000015 0.4584408699999969
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0.2973637500000024 0.3773102500000007 0.2488351200000025
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0.1200194199999984 0.4383840300000017 0.2874849299999980
0.1577944200000019 0.4153680300000033 0.2016321500000018
0.1724955500000007 0.5849789399999992 0.1055072500000023
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0.3750851200000014 0.5593412999999998 0.2688214300000027
0.3581063199999974 0.5981977400000034 0.4199858400000025
0.4724666799999966 0.4268737299999970 0.4077710899999971
0.4485737400000005 0.4494594800000016 0.2559027000000000
0.3417645199999981 0.3720807699999966 0.4429054300000033
0.4131770299999999 0.3878217199999980 0.5215531400000017
0.3126998199999989 0.4764711300000002 0.5570537899999977
0.3600328599999969 0.4909273499999998 0.6121533800000023
0.4898717800000014 0.5649018100000021 0.3139490499999980
0.4588711700000019 0.5798465199999967 0.4056625600000032
0.6437262500000003 0.6406795999999986 0.5609797600000022
0.6845924400000030 0.6231119199999995 0.4767091800000003
0.6156475599999993 0.6244771400000033 0.3102838499999976
0.5568105799999969 0.5773515500000030 0.5789072700000020
0.5418965300000025 0.5374463699999978 0.4758693599999972
0.5385190399999971 0.6280826200000007 0.4860046699999998
0.5957378100000028 0.8264892400000008 0.4589191099999965
0.5986319100000017 0.7817853999999969 0.5614323599999977
0.5644442299999994 0.7520596700000013 0.4734374599999995
0.6478106799999992 0.7517892199999991 0.2943540099999993
0.6922498400000023 0.8023928200000014 0.5037487600000006
0.6487560699999975 0.4175332100000020 0.3404606000000001
0.6768906599999980 0.4021368399999972 0.4926058499999968
0.5305324300000009 0.2892795200000009 0.4002538599999994
0.5641448000000011 0.3641448500000024 0.2873756199999988
0.5298124999999985 0.4154437500000014 0.5700626699999987
0.5502297600000006 0.2968448299999977 0.5736010600000014
0.6083412099999990 0.4337111999999976 0.6636085199999968
0.6289328299999966 0.3567547199999979 0.6619025199999982
0.6314782500000007 0.2690825399999994 0.2844073300000005
0.6162761599999982 0.2192429600000025 0.3692831700000028
0.00000000E+00 0.00000000E+00 0.00000000E+00
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