iterations/neb0_image03_iter18_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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0.1518470500000006 0.4172002299999988 0.1916921899999977
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0.3519506600000000 0.5993180899999970 0.4093968000000032
0.4662627299999968 0.4236413699999986 0.4015384900000001
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0.3359871899999973 0.3741924699999970 0.4324229500000030
0.4069202000000018 0.3890670199999988 0.5119613299999983
0.3066898000000009 0.4776224499999984 0.5471665600000009
0.3542778799999979 0.4915568799999974 0.6020823100000001
0.4870915799999977 0.5705752900000007 0.3092778800000033
0.4697616899999986 0.5778914500000027 0.4146297400000023
0.6483916500000007 0.6391269800000003 0.5716994699999987
0.6866047199999983 0.6189007199999992 0.4861590499999977
0.6230244200000001 0.6243703800000020 0.3192168200000012
0.5561290699999972 0.5700534799999986 0.5723883499999971
0.5342700899999997 0.5427889500000020 0.4683581999999973
0.5415545999999978 0.6297922700000029 0.4890638700000025
0.6017980299999977 0.8251239599999991 0.4690797200000034
0.6046086799999983 0.7802427499999993 0.5714591300000009
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0.6538848599999980 0.7508875400000008 0.3052739099999968
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0.6548469499999996 0.4160980099999989 0.3503842200000022
0.6825180200000034 0.4007912599999983 0.5019369899999973
0.5366485200000000 0.2877852000000019 0.4095788400000018
0.5702530399999972 0.3625857500000009 0.2971899799999989
0.5360741000000004 0.4149986099999978 0.5780522900000022
0.5561448699999971 0.2961180300000024 0.5834637700000016
0.6150945699999966 0.4329954099999966 0.6735824399999970
0.6355697700000036 0.3553301000000033 0.6718424399999989
0.6380233399999966 0.2681258200000016 0.2950871899999967
0.6229438399999978 0.2192488800000021 0.3805486999999985
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