iterations/neb0_image07_iter17_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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0.4750107699999973 0.5765224900000021 0.4251201699999996
0.6377548600000011 0.6410078600000020 0.5542335000000023
0.6763450899999981 0.6210014899999976 0.4689708300000035
0.6122678799999974 0.6261402599999997 0.3021897799999991
0.5467439800000022 0.5727132600000004 0.5594284800000011
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0.5911838800000027 0.8270536899999996 0.4518645699999979
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0.6442193500000002 0.4180901699999993 0.3331875699999998
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0.5255366399999986 0.4170387200000008 0.5613566000000034
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0.6123494200000010 0.2211325700000017 0.3633565800000014
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