iterations/neb0_image03_iter2_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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0.2596372699999989 0.3980583900000028 0.2651651199999989
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0.2616125699999969 0.4912560900000003 0.2721753800000002
0.1609658799999991 0.5367462999999972 0.2330552199999971
0.3530563500000028 0.5404344800000018 0.3482421699999989
0.4422501900000029 0.4760020599999990 0.3490426600000021
0.3674165799999969 0.4233399199999965 0.4726761100000019
0.6130329399999965 0.5737417400000027 0.4507455999999976
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0.1029168600000006 0.4631799699999988 0.1652263200000021
0.1139061800000007 0.4392537000000019 0.2774456499999971
0.1518468399999975 0.4172201000000015 0.1916484999999994
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0.0972435999999988 0.5855369200000027 0.2859928100000033
0.3694546700000032 0.5604221600000017 0.2583078500000013
0.3519249599999981 0.5993191199999970 0.4093319199999996
0.4662608399999968 0.4235729899999967 0.4016602199999966
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0.3359312799999969 0.3741706500000035 0.4324176800000004
0.4068838299999982 0.3891057000000018 0.5119934100000023
0.3066802800000019 0.4776337200000000 0.5471490999999986
0.3543271200000007 0.4915380600000034 0.6021147700000000
0.4870812200000003 0.5706503700000027 0.3091697199999999
0.4700388199999992 0.5778603300000000 0.4151907299999991
0.6483853299999964 0.6391229199999984 0.5717556000000030
0.6865855400000029 0.6187581100000017 0.4862197599999973
0.6230660700000001 0.6243836100000024 0.3192956700000025
0.5561131400000008 0.5699117099999995 0.5719198800000029
0.5338533600000019 0.5429407100000034 0.4679975999999968
0.5415116400000031 0.6298605799999990 0.4889562700000027
0.6018364199999979 0.8251089999999976 0.4691551399999980
0.6046470900000003 0.7801948899999971 0.5714579699999973
0.5705205599999985 0.7505026500000014 0.4833265600000018
0.6538886000000019 0.7508619099999976 0.3054072500000018
0.6981327199999967 0.8006261600000002 0.5141047899999975
0.6548908899999972 0.4160590099999979 0.3503936199999984
0.6825220599999966 0.4007392800000034 0.5019091500000030
0.5366826899999992 0.2876979400000010 0.4096231899999978
0.5702959999999990 0.3625829499999966 0.2971555499999994
0.5361660599999993 0.4150278500000013 0.5779256000000004
0.5561325600000018 0.2962356399999990 0.5834519599999979
0.6151346199999992 0.4329787100000004 0.6736582200000001
0.6355625099999997 0.3552785700000030 0.6717852499999992
0.6381229099999999 0.2680866199999983 0.2952243699999997
0.6230591799999985 0.2192590699999997 0.3807225600000024
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