iterations/neb0_image03_iter30_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
0.2077639500000004 0.5282198399999984 0.3140385499999994
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0.3531010399999985 0.5404873199999969 0.3484329099999997
0.4421491299999971 0.4758704099999989 0.3486691299999976
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0.1518260900000001 0.4171604799999997 0.1917087599999974
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0.4069461099999998 0.3890485699999999 0.5119521800000015
0.3066795499999984 0.4775655299999997 0.5471052299999997
0.3542694400000030 0.4915704300000030 0.6020790800000029
0.4871124399999971 0.5703875299999979 0.3089893499999974
0.4694273200000012 0.5779134900000003 0.4144707299999979
0.6484065400000034 0.6391505100000003 0.5716318400000020
0.6867015600000030 0.6190170200000011 0.4861069099999966
0.6229673500000033 0.6243212500000013 0.3191852900000001
0.5562506099999993 0.5702145500000029 0.5727132700000013
0.5344705899999980 0.5425959499999990 0.4687007599999973
0.5415932200000029 0.6297041300000004 0.4891871000000023
0.6017877499999997 0.8251632999999998 0.4690460400000021
0.6046149499999984 0.7802832400000028 0.5713739600000025
0.5704784500000031 0.7505887399999978 0.4833151799999982
0.6538886499999990 0.7508867499999994 0.3052195200000014
0.6980799000000033 0.8007628499999981 0.5140847999999991
0.6548193300000023 0.4161250599999988 0.3504261100000008
0.6825249600000021 0.4008191599999975 0.5019853699999999
0.5366165200000026 0.2878700799999976 0.4096304799999970
0.5702226300000035 0.3626613300000017 0.2971975600000007
0.5360157300000026 0.4149121000000022 0.5781803799999992
0.5561536200000035 0.2960533099999978 0.5835159199999964
0.6150480599999995 0.4331738599999966 0.6736276399999994
0.6356521299999969 0.3552342999999993 0.6719213800000006
0.6379245400000002 0.2681309700000014 0.2950120400000031
0.6228464499999973 0.2192508199999992 0.3803118200000029
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