iterations/neb0_image07_iter36_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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0.4372222000000008 0.4598853000000034 0.3287310300000001
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0.3072916100000000 0.3752421800000008 0.2656142900000020
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0.1298385099999990 0.4373883700000007 0.3035836800000027
0.1676172600000001 0.4138839900000022 0.2180216100000010
0.1818516299999970 0.5838077000000013 0.1211292300000011
0.1127006099999974 0.5800498300000001 0.3140242400000020
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0.4777135000000001 0.5535960300000013 0.3116528400000007
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0.6383105399999991 0.6427385499999971 0.5421054700000028
0.6905250200000026 0.6346668300000005 0.4658170699999999
0.6015315000000001 0.6228354899999999 0.2977657899999997
0.5751531800000009 0.6011500700000028 0.6288010499999999
0.5991495099999966 0.5126743699999992 0.5354899200000034
0.5427359299999992 0.6142004200000031 0.4936402399999977
0.5861830899999987 0.8274616899999998 0.4426971299999991
0.5888332800000029 0.7835508399999966 0.5457978900000029
0.5545419800000033 0.7541632000000007 0.4577231299999980
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0.6826003099999980 0.8069811499999986 0.4887366999999969
0.6388364700000011 0.4186900400000013 0.3239117099999973
0.6681795900000012 0.4027163900000019 0.4775380299999981
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0.5404385499999975 0.2974002899999988 0.5586677100000017
0.5986418600000007 0.4346528499999991 0.6493471699999986
0.6213554200000004 0.3579758600000034 0.6483700699999986
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0.6061102600000012 0.2204605299999969 0.3510841700000000
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