iterations/neb0_image08_iter18_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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0.6026363000000003 0.5774180700000002 0.4303372099999976
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0.6348412700000026 0.6414637499999998 0.5492447399999989
0.6740432799999994 0.6218355999999972 0.4643005799999997
0.6091273700000031 0.6264217599999995 0.2976667599999985
0.5451176300000000 0.5741496600000033 0.5592977800000014
0.5328784900000016 0.5417429399999989 0.4567700099999996
0.5299580100000014 0.6308517000000009 0.4692859299999981
0.5882638699999987 0.8275936400000035 0.4471047799999965
0.5910644200000021 0.7827174299999982 0.5494552500000012
0.5569477499999991 0.7531008099999994 0.4613696400000009
0.6402974700000001 0.7532992399999969 0.2833510099999970
0.6845712800000001 0.8032240100000010 0.4921054699999985
0.6412900600000029 0.4186416499999979 0.3284822800000029
0.6690081699999979 0.4033832799999999 0.4800516900000034
0.5231980499999977 0.2902971999999977 0.3877068299999991
0.5567278799999968 0.3649998699999983 0.2756075200000012
0.5227385499999997 0.4175714200000016 0.5571762900000010
0.5425398499999972 0.2986039999999974 0.5615894299999979
0.6014973899999987 0.4352282899999977 0.6517222599999997
0.6220008600000000 0.3578600299999977 0.6499704300000033
0.6245575000000017 0.2706549800000033 0.2730467399999981
0.6094256900000019 0.2215655299999995 0.3586635500000028
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