iterations/neb0_image02_iter57_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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0.6514374300000014 0.6389402000000004 0.5757136000000003
0.6895236399999973 0.6195039600000030 0.4895196599999991
0.6250537399999985 0.6234475999999987 0.3237435799999986
0.5586304500000026 0.5703662100000031 0.5786175000000000
0.5373798800000031 0.5414470600000030 0.4747521500000005
0.5440018500000008 0.6287742600000001 0.4937364900000034
0.6042729300000005 0.8250604500000023 0.4731009400000019
0.6071180100000007 0.7804196000000019 0.5756398600000026
0.5728248699999980 0.7506050399999964 0.4878384699999998
0.6565588599999970 0.7501363699999999 0.3091246299999995
0.7005038499999969 0.8006999999999991 0.5179717299999993
0.6575186299999984 0.4158275799999984 0.3550876899999977
0.6853574200000025 0.4006143599999987 0.5064826899999986
0.5392864599999996 0.2884013400000001 0.4138812500000029
0.5730937200000028 0.3627155799999997 0.3014058400000010
0.5383878700000011 0.4131591100000023 0.5827835799999974
0.5594226799999973 0.2948911800000005 0.5875706300000019
0.6172111200000003 0.4329232199999993 0.6778154699999988
0.6384207500000016 0.3549657900000014 0.6766263199999969
0.6401071700000003 0.2673710899999975 0.2978338200000010
0.6246904699999973 0.2181589099999997 0.3825235899999981
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