iterations/neb0_image01_iter45_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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0.2543851200000020 0.3987692099999975 0.2570130499999976
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0.6182334299999965 0.5729583500000004 0.4595753799999969
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0.1085541799999987 0.4405631500000027 0.2692013200000005
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0.1616805600000006 0.5867436099999992 0.0873582400000004
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0.4609735900000018 0.4240417600000015 0.3929173300000031
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0.4018790699999997 0.3898687200000026 0.5033239799999976
0.3013816799999987 0.4781823599999981 0.5383936300000016
0.3487650200000019 0.4926012600000007 0.5933996699999966
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0.4653486799999982 0.5788733400000012 0.4067675399999970
0.6537837899999985 0.6384792500000032 0.5800994900000020
0.6918202100000030 0.6187031899999980 0.4942518800000002
0.6282272199999994 0.6233310000000003 0.3275378299999971
0.5607369499999990 0.5692628799999966 0.5809838799999980
0.5389231199999998 0.5418170000000018 0.4770649299999974
0.5463684999999998 0.6285899700000002 0.4974786200000025
0.6068823399999985 0.8244976800000003 0.4773741599999966
0.6098570300000006 0.7795016199999978 0.5797296399999965
0.5755328500000019 0.7499514900000008 0.4919441600000027
0.6594227499999974 0.7500483199999977 0.3133792400000033
0.7031681699999979 0.8001006399999966 0.5227692099999999
0.6600814199999974 0.4152698600000022 0.3591545700000012
0.6878672200000011 0.3996917300000007 0.5109025699999989
0.5417204600000005 0.2873566700000012 0.4179262800000032
0.5753918200000001 0.3618185799999978 0.3054875500000023
0.5409521999999996 0.4133001800000002 0.5865766100000016
0.5616112499999986 0.2945960600000035 0.5915777900000023
0.6200876999999991 0.4321421900000004 0.6814944300000008
0.6406993700000001 0.3545654400000018 0.6804673700000023
0.6428084200000015 0.2672370599999994 0.3029517299999966
0.6277547799999965 0.2180535800000030 0.3882888600000030
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