iterations/neb0_image07_iter54_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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0.6406415100000018 0.6430306500000000 0.5496666399999981
0.6845454500000017 0.6294494099999994 0.4696458800000016
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0.5613013800000033 0.5870247900000010 0.5833906399999975
0.5494458900000012 0.5325896599999993 0.4924020699999971
0.5355912599999968 0.6218481599999990 0.4840923000000004
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0.6095051699999985 0.2208244799999974 0.3577952099999990
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