iterations/neb0_image02_iter23_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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0.3040968899999967 0.4780795499999968 0.5429388000000017
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0.4845234000000005 0.5710931400000021 0.3050258800000023
0.4674222499999985 0.5783517799999984 0.4108524500000001
0.6509872999999970 0.6386471000000000 0.5758944700000015
0.6891865600000031 0.6183796899999976 0.4903545800000018
0.6256245599999986 0.6238930999999965 0.3234610200000034
0.5586508100000032 0.5695049500000025 0.5762938100000028
0.5365286899999973 0.5424156500000024 0.4723133399999995
0.5440841400000025 0.6293525000000031 0.4931789800000033
0.6044061799999980 0.8246508800000001 0.4733022799999986
0.6072075000000012 0.7797651300000012 0.5756756600000017
0.5730962399999981 0.7500775700000020 0.4875283800000005
0.6564763800000009 0.7503782499999971 0.3095481900000010
0.7007004999999964 0.8001750500000000 0.5182506000000018
0.6574572199999977 0.4155970300000007 0.3545780299999990
0.6851172399999967 0.4002913500000034 0.5061448900000016
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0.5387090400000005 0.4144976199999988 0.5822187999999997
0.5587524700000017 0.2956802400000029 0.5876690500000024
0.6176777800000011 0.4324807599999971 0.6778066199999984
0.6381317499999994 0.3548453599999988 0.6760185899999982
0.6406606700000026 0.2676249299999967 0.2993020199999989
0.6255787500000025 0.2187394500000011 0.3847930399999981
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