iterations/neb0_image09_iter48_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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0.4695470999999998 0.5667112000000003 0.2973510599999969
0.3893643800000035 0.6022814800000020 0.3456698800000026
0.6412135899999996 0.6462136399999991 0.5350076300000026
0.6975884699999995 0.6438133899999983 0.4659967899999984
0.5952260700000025 0.6249126499999988 0.2931953399999969
0.5793060499999996 0.6113404600000010 0.6144565399999991
0.5706129399999966 0.5150709999999989 0.5249966399999977
0.5378229599999997 0.6057526800000019 0.4935004499999991
0.5822644200000013 0.8272776199999967 0.4357023299999980
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0.6331331800000015 0.7550991499999995 0.2677507599999984
0.6791952499999994 0.8113340800000017 0.4844553200000021
0.6349874400000033 0.4172494499999999 0.3156255399999992
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0.5166525799999988 0.2905424599999975 0.3774507700000029
0.5500754899999976 0.3666615599999972 0.2654776299999995
0.5194972700000022 0.4184797599999968 0.5601195799999985
0.5363985500000013 0.2984514999999988 0.5513733299999970
0.5953412000000000 0.4352298000000019 0.6430646900000028
0.6195778900000022 0.3579549099999966 0.6436842299999981
0.6175856199999998 0.2713230000000024 0.2617384400000020
0.6024703799999997 0.2217114800000033 0.3456119900000019
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