iterations/neb0_image01_iter13_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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0.3015184099999999 0.4785772399999999 0.5387985099999995
0.3491344299999994 0.4924897100000010 0.5937287599999976
0.4819225700000018 0.5715976700000027 0.3008847199999991
0.4649179299999986 0.5788254300000020 0.4068041600000001
0.6535604099999972 0.6381817700000028 0.5801001999999968
0.6917478499999987 0.6178701099999984 0.4945695199999989
0.6282221100000029 0.6234423300000032 0.3276235900000017
0.5612315999999993 0.5689834399999967 0.5803226900000027
0.5390022799999983 0.5419939900000017 0.4763880100000009
0.5466489200000026 0.6288869400000010 0.4973240799999985
0.6069875199999970 0.8241754499999985 0.4774933500000031
0.6098003999999975 0.7792607700000005 0.5798362600000004
0.5756786000000034 0.7495791999999994 0.4916965199999979
0.6590653000000017 0.7499297199999972 0.3137280400000009
0.7032892499999974 0.7996961300000009 0.5224599200000029
0.6600473600000001 0.4151141099999975 0.3587526199999971
0.6876983900000013 0.3997816299999997 0.5103091399999968
0.5418379199999990 0.2867833800000028 0.4179614000000029
0.5754501099999985 0.3616348500000015 0.3055107400000026
0.5412968999999990 0.4140548100000032 0.5862985899999984
0.5613030199999969 0.2952362099999988 0.5917985399999992
0.6202854200000019 0.4320343799999975 0.6819838899999979
0.6407271100000003 0.3543443900000014 0.6801652600000025
0.6432575299999996 0.2671499100000005 0.3035379499999991
0.6281896500000030 0.2183009199999972 0.3890367899999987
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