iterations/neb0_image03_iter63_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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0.2617823100000010 0.4903233599999979 0.2719357799999997
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0.3532386199999991 0.5408134899999979 0.3489076700000027
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0.3675848999999971 0.4230792299999990 0.4729449700000004
0.6140285000000034 0.5744899600000011 0.4526089200000030
0.6506948299999991 0.7251623499999980 0.4531901900000008
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0.3019896099999997 0.5118763899999976 0.3422062599999975
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0.3700274300000004 0.5615137899999993 0.2597184799999965
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0.4071240600000010 0.3888190899999984 0.5119259000000014
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0.3538559799999987 0.4918331200000026 0.6018377099999981
0.4871719499999969 0.5688162399999968 0.3075992799999980
0.4654896899999983 0.5788927299999997 0.4092051900000016
0.6492913100000024 0.6399220200000002 0.5713543800000025
0.6880037500000000 0.6207099700000001 0.4859171299999971
0.6222975100000028 0.6239865200000025 0.3192238399999994
0.5580888499999972 0.5721188699999971 0.5772421899999998
0.5369069400000015 0.5404299500000036 0.4746689899999978
0.5419173800000010 0.6283067000000031 0.4908167099999972
0.6016018400000007 0.8256055499999988 0.4683803900000001
0.6048482400000026 0.7807188600000003 0.5703947000000014
0.5704685999999981 0.7508923800000034 0.4829754399999970
0.6541041199999995 0.7510530099999997 0.3042672099999990
0.6979209300000022 0.8019137699999987 0.5143816499999971
0.6546385600000022 0.4162570800000012 0.3507583999999966
0.6826053999999999 0.4009287200000031 0.5025280099999989
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0.5351536699999997 0.4136126300000029 0.5794835100000029
0.5564157700000010 0.2952979900000017 0.5838919700000034
0.6141866800000031 0.4335647099999989 0.6736623899999969
0.6352568300000030 0.3556687900000028 0.6720006199999986
0.6367916199999968 0.2682275700000005 0.2936271900000023
0.6216580999999977 0.2184046200000012 0.3780175899999989
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