iterations/neb0_image03_iter46_CONTCAR output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)

Status: running

No title                                
   1.00000000000000     
     9.7443200000000001    0.0000000000000000    0.0000000000000000
     0.0000000000000000    9.7443200000000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000   23.4276799999999987
   Si   O    H 
    31    70    16
Selective dynamics
Direct
  0.1272922599999973  0.1283990100000025  0.3858756799999981   F   F   F
  0.3729614100000020  0.1222975599999998  0.3070114200000020   F   F   F
  0.3014353900000017  0.0870161400000029  0.6082469999999986   T   T   T
  0.0996714699999970  0.3958424799999989  0.1495361699999975   F   F   F
  0.0926673100000031  0.3802965799999996  0.4624270699999968   F   F   F
  0.3507107300000030  0.3691844800000013  0.2284893599999975   F   F   F
  0.3447555799999975  0.3460574799999989  0.5365046000000007   T   T   T
  0.1280975700000013  0.6295234700000023  0.3818338100000034   F   F   F
  0.3788542500000034  0.6225934599999974  0.3065219300000024   F   F   F
  0.3370483400000026  0.5886807700000034  0.6198308900000029   T   T   T
  0.1127581300000031  0.8943571599999984  0.1464431799999986   F   F   F
  0.0875294200000027  0.8743286899999987  0.4634238100000019   F   F   F
  0.3588621600000010  0.8700882099999987  0.2283546999999970   F   F   F
  0.3465737499999975  0.8366298500000013  0.5396092000000010   T   T   T
  0.6240375499999971  0.1715344200000004  0.3865896100000015   F   F   F
  0.8687083900000019  0.0972473400000027  0.3080610499999992   F   F   F
  0.8139027400000032  0.1223179200000004  0.6168391599999978   T   T   T
  0.5959080499999985  0.3673447899999971  0.1483982299999980   F   F   F
  0.5992611100000005  0.4230242100000012  0.4608454299999991   F   F   F
  0.8461437599999968  0.3458927699999990  0.2293470600000020   F   F   F
  0.8379178499999966  0.3533613999999972  0.5358717700000000   T   T   T
  0.6314162500000009  0.6771602500000000  0.3850056100000003   F   F   F
  0.8751058400000034  0.6029641200000029  0.3049351100000024   F   F   F
  0.8206657799999988  0.6566500699999978  0.6500860700000004   T   T   T
  0.6032146399999974  0.8678704000000010  0.1474606199999968   F   F   F
  0.5892813000000032  0.9232164200000028  0.4630859000000029   F   F   F
  0.8562413499999977  0.8486443899999969  0.2262954500000021   F   F   F
  0.8413721100000018  0.8571141099999977  0.5444314900000009   T   T   T
  0.9659352899999973  0.3867187999999970  0.6507891999999984   T   T   T
  0.5415861399999997  0.2133109000000033  0.6484251500000013   T   T   T
  0.5758019499999989  0.5071582400000025  0.6955159299999991   T   T   T
  0.0707140900000027  0.0155558200000030  0.1032133100000010   F   F   F
  0.0806286600000021  0.0290745400000034  0.4383496100000031   F   F   F
  0.3006002799999976  0.2410957800000020  0.2682756499999996   F   F   F
  0.3010466200000010  0.1862669599999975  0.5518924400000031   T   T   T
  0.1535439800000020  0.2690150600000010  0.1074624999999969   F   F   F
  0.1553137200000023  0.2769086699999974  0.4148506499999982   F   F   F
  0.4173003000000008  0.4899151899999978  0.2677530699999977   F   F   F
  0.3597683699999976  0.4352879799999982  0.5953582599999976   T   T   T
  0.4643120499999966  0.3092619000000028  0.1839529800000008   F   F   F
  0.4475712699999974  0.3752725100000021  0.4805222700000016   F   F   F
  0.2218453099999991  0.4358458299999981  0.1942679799999993   F   F   F
  0.1978997000000007  0.4069635199999979  0.5135788099999985   T   T   T
  0.2664698500000000  0.0705962700000029  0.3561613999999977   F   F   F
  0.1499798500000011  0.0712889500000031  0.6368816100000032   T   T   T
  0.0131433999999970  0.1450372299999998  0.3359934599999974   F   F   F
  0.8954005900000013  0.2314330700000014  0.6585932500000027   T   T   T
  0.0499184700000015  0.5206743999999972  0.1095765199999974   F   F   F
  0.0700298799999999  0.5274303500000030  0.4311341100000021   F   F   F
  0.3074531600000014  0.7424949700000028  0.2680991900000009   F   F   F
  0.3860541399999988  0.6886165000000020  0.5670213900000007   T   T   T
  0.1649321499999985  0.7629563699999977  0.1065210399999970   F   F   F
  0.1431751399999968  0.7786286600000025  0.4119921799999986   F   F   F
  0.4208846900000012  0.9925865000000016  0.2681667499999989   F   F   F
  0.3756352099999987  0.9441437400000012  0.5911909699999995   T   T   T
  0.4757297700000009  0.8097417800000031  0.1854605799999973   F   F   F
  0.4389709800000006  0.8705802100000000  0.4835049799999993   F   F   F
  0.2326509700000017  0.9353215399999968  0.1920386399999998   F   F   F
  0.1874443600000006  0.8605592700000031  0.5194330799999989   T   T   T
  0.2762136799999979  0.5777090099999995  0.3582888800000035   F   F   F
  0.0278600299999994  0.6426468000000014  0.3268527999999975   F   F   F
  0.9247208199999974  0.5377329100000026  0.6794952999999992   T   T   T
  0.5571032400000036  0.9881545000000003  0.1043820000000011   F   F   F
  0.5746805599999973  0.0806017199999971  0.4413685399999991   F   F   F
  0.8165686099999974  0.1952576699999966  0.2563575400000033   F   F   F
  0.7850854499999969  0.2009780100000000  0.5560461999999973   T   T   T
  0.6496302099999980  0.2371674299999995  0.1081451200000032   F   F   F
  0.6579474099999985  0.3250345000000010  0.4100797999999983   F   F   F
  0.8782154299999974  0.4452316499999966  0.2834268200000025   F   F   F
  0.9226445199999986  0.4288839700000011  0.5858330800000005   T   T   T
  0.9742545399999969  0.3296652800000004  0.1857636000000014   F   F   F
  0.9455939599999965  0.3268387099999970  0.4869939700000003   F   F   F
  0.7154035000000007  0.4056549499999988  0.1944177000000025   F   F   F
  0.7053809000000015  0.4357621699999967  0.5143240000000020   T   T   T
  0.7579404299999979  0.0978471299999981  0.3596974299999971   F   F   F
  0.6679266900000016  0.0976656500000033  0.6507142299999984   T   T   T
  0.5073964099999984  0.1863024100000032  0.3377911700000027   F   F   F
  0.3922963199999998  0.1474281899999994  0.6618217400000006   T   T   T
  0.5533356500000011  0.4893475499999980  0.1055892899999975   F   F   F
  0.5870044699999966  0.5793721599999984  0.4379384400000035   F   F   F
  0.8252933200000001  0.6960363099999967  0.2512985899999975   F   F   F
  0.8414884000000029  0.7193041499999993  0.5848927600000025   T   T   T
  0.6537460999999993  0.7362151100000034  0.1073812699999976   F   F   F
  0.6475791299999969  0.8310700899999972  0.4108009799999977   F   F   F
  0.8887038100000026  0.9449593900000011  0.2814432500000024   F   F   F
  0.8867563700000005  0.9791204500000035  0.5936812099999997   T   T   T
  0.9842422899999974  0.8349674099999973  0.1827362200000024   F   F   F
  0.9357899500000002  0.8289468400000004  0.4858777500000002   F   F   F
  0.7259103999999965  0.9098842399999967  0.1915033800000003   F   F   F
  0.6926741400000012  0.9065991900000014  0.5191165399999988   T   T   T
  0.7753561399999995  0.6223722300000034  0.3596470800000020   F   F   F
  0.6746730699999972  0.5757949300000007  0.6473605099999986   T   T   T
  0.5193217400000023  0.6817928400000000  0.3340865300000004   F   F   F
  0.4287068100000013  0.5844034300000018  0.6798023400000019   T   T   T
  0.5637494400000023  0.3409359799999976  0.6909732700000006   T   T   T
  0.5408809199999993  0.2657094999999998  0.5813202399999966   T   T   T
  0.8287381900000028  0.7776978799999981  0.6985757500000034   T   T   T
  0.1220130199999971  0.3654615900000024  0.6729559899999984   T   T   T
  0.1836557000000028  0.6466198899999966  0.6328858400000001   T   T   T
  0.6398261399999967  0.5263803599999974  0.7599161400000014   T   T   T
  0.4022592000000031  0.6636470400000007  0.7907847700000019   T   T   T
  0.1022923599999999  0.1124124700000024  0.1073217900000003   F   F   F
  0.1988654000000025  0.2981679499999998  0.0726012000000011   F   F   F
  0.0950805599999995  0.6124516300000025  0.1096167500000007   F   F   F
  0.2091793499999994  0.7884780999999990  0.0709198500000028   F   F   F
  0.5914970899999972  0.0842832499999986  0.1080990999999969   F   F   F
  0.6882405500000033  0.2644162599999973  0.0716420700000029   F   F   F
  0.5917674000000019  0.5839855500000013  0.1083711100000002   F   F   F
  0.6937292599999978  0.7621503200000035  0.0709653799999970   F   F   F
  0.6159453699999986  0.2259672400000028  0.5586831800000027   T   T   T
  0.0800304300000008  0.0137333899999987  0.6190727999999979   T   T   T
  0.7687650200000036  0.8569710599999993  0.6949210000000008   T   T   T
  0.1493939499999968  0.2688884700000003  0.6749143400000008   T   T   T
  0.1252324100000024  0.6112676500000020  0.6631273699999980   T   T   T
  0.7392492800000028  0.5335275400000015  0.7626374499999997   T   T   T
  0.4895126300000001  0.6182288500000013  0.7982212599999983   T   T   T
  0.3943066499999972  0.6634971499999978  0.7489045299999972   T   T   T
 
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