iterations/neb0_image07_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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0.3791411400000015 0.4192434699999978 0.4947158299999970
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0.4348799999999997 0.5863038500000002 0.3864079100000026
0.6398622399999994 0.6425132999999974 0.5488664200000031
0.6867418000000001 0.6299026000000012 0.4692448999999996
0.6063621200000000 0.6244166199999981 0.3007594299999994
0.5637172699999979 0.5900792799999977 0.5902208199999990
0.5526012099999988 0.5293716799999970 0.4926320200000021
0.5368929999999992 0.6213043799999980 0.4858149699999998
0.5889507799999976 0.8271112700000032 0.4476184600000011
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0.6404657599999979 0.7529625299999978 0.2822502900000003
0.6853424500000003 0.8054295499999995 0.4932776300000015
0.6418101399999969 0.4178772599999974 0.3285759600000020
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0.5235937899999996 0.2897340399999990 0.3889005500000025
0.5572291800000002 0.3654426499999985 0.2757341599999990
0.5239613199999980 0.4168785600000007 0.5619623700000034
0.5432310599999965 0.2978836599999966 0.5625659299999981
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0.6244731999999971 0.2699841199999966 0.2734440999999990
0.6094027899999972 0.2208722199999968 0.3569966199999968
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