iterations/neb0_image06_iter55_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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0.4767982500000016 0.4381879199999972 0.4041675900000001
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0.4344293999999991 0.5862854599999991 0.3711269900000005
0.6442783999999975 0.6433819700000001 0.5535133799999983
0.6885281899999995 0.6310985200000019 0.4741914100000031
0.6085478400000000 0.6233921199999983 0.3061761800000014
0.5669397200000006 0.5889036900000022 0.5926909900000012
0.5528324799999993 0.5293746199999987 0.5044741900000034
0.5381786000000019 0.6204202600000031 0.4903601999999978
0.5912519900000035 0.8264999000000017 0.4508571799999999
0.5943880100000030 0.7821879500000009 0.5527747599999984
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0.6432882300000031 0.7528677700000017 0.2853349700000010
0.6875802100000001 0.8062309399999990 0.4985388799999981
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0.6731507699999995 0.4001936499999985 0.4852473400000008
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0.5254425899999973 0.4165138700000028 0.5654668199999975
0.5456925900000016 0.2977109300000009 0.5666131099999987
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0.6112299600000028 0.2201176200000035 0.3600808599999965
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