iterations/neb0_image03_iter34_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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0.1611226599999966 0.5366639800000002 0.2330545900000018
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0.3066787899999994 0.4775308700000025 0.5470973400000005
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0.4871171400000023 0.5702441800000031 0.3090286799999973
0.4690317499999992 0.5779640000000015 0.4137901499999970
0.6484343699999968 0.6391776299999989 0.5715592299999983
0.6867706299999981 0.6192082600000006 0.4860388000000029
0.6229044500000001 0.6242947100000009 0.3191095800000028
0.5563346799999991 0.5704155299999982 0.5732817399999988
0.5349255900000003 0.5423771900000034 0.4692214000000021
0.5416482999999985 0.6295831400000012 0.4893425200000010
0.6017466600000034 0.8252066599999992 0.4689550100000019
0.6045896899999974 0.7803434599999974 0.5713383000000007
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0.6538919199999995 0.7509181400000031 0.3050633800000000
0.6980468000000002 0.8008493900000033 0.5140550799999986
0.6547756599999985 0.4161659399999991 0.3504062399999981
0.6825319699999994 0.4008705600000013 0.5020372700000024
0.5365735700000016 0.2879916199999997 0.4096189899999985
0.5701689599999966 0.3627175900000026 0.2972054399999990
0.5359095399999987 0.4148276800000019 0.5783459000000022
0.5561694200000034 0.2959158999999971 0.5835463299999972
0.6149729600000029 0.4332005999999993 0.6735521499999990
0.6356285999999969 0.3552984299999977 0.6719640700000014
0.6377898300000027 0.2681607700000015 0.2948556799999977
0.6227059599999976 0.2192093600000007 0.3800698900000015
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