iterations/neb0_image07_iter50_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
0.2199365299999982 0.5261416299999979 0.3337236200000007
0.2721705100000023 0.3954775999999995 0.2859953999999973
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0.3790315999999976 0.4200782799999985 0.4928531699999965
0.6079263999999966 0.5785912199999999 0.4388256900000016
0.6395502399999984 0.7277367299999966 0.4325742999999989
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0.3799116100000006 0.5575539599999999 0.2774708500000003
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0.4874966200000017 0.5640931200000026 0.3179897999999994
0.4458295299999975 0.5846045400000008 0.3952391699999964
0.6401431000000031 0.6425946800000020 0.5503249799999992
0.6844470999999999 0.6284511400000028 0.4697820800000017
0.6074749799999992 0.6244252600000024 0.3018150999999989
0.5599034099999969 0.5859332200000011 0.5809716999999992
0.5450029599999979 0.5337527900000012 0.4852382400000010
0.5357535500000026 0.6221131300000025 0.4833944900000020
0.5894785799999980 0.8271004099999999 0.4486020900000014
0.5922697800000023 0.7826191300000005 0.5510676500000002
0.5580745999999976 0.7528515799999980 0.4629705199999989
0.6411054800000002 0.7530214800000010 0.2833701400000024
0.6859325300000023 0.8052002800000011 0.4944167600000000
0.6423749100000009 0.4177147799999972 0.3296209399999981
0.6708770299999998 0.4016412200000019 0.4821427400000005
0.5241511600000024 0.2896632100000005 0.3896886100000003
0.5578129100000027 0.3650931900000032 0.2769249799999969
0.5242030400000033 0.4170226000000028 0.5616235000000032
0.5437503200000009 0.2979081900000011 0.5633164699999966
0.6023555700000003 0.4341436899999991 0.6538550000000001
0.6234765700000011 0.3579466099999991 0.6521959199999969
0.6253559000000024 0.2701102099999986 0.2740686900000000
0.6101505199999977 0.2205531600000015 0.3588897500000030
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