iterations/neb0_image03_iter68_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
  0.3001101400000010  0.0871009999999970  0.6079317000000017   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
  0.3441222599999989  0.3449798299999998  0.5361083100000030   T   T   T
  0.1280975700000013  0.6295234700000023  0.3818338100000034   F   F   F
  0.3788542500000034  0.6225934599999974  0.3065219300000024   F   F   F
  0.3365623600000021  0.5898885100000015  0.6190824299999989   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
  0.3466603500000005  0.8366039599999979  0.5393921100000014   T   T   T
  0.6240375499999971  0.1715344200000004  0.3865896100000015   F   F   F
  0.8687083900000019  0.0972473400000027  0.3080610499999992   F   F   F
  0.8140743299999968  0.1229372100000035  0.6170178500000034   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
  0.8384439299999968  0.3543321100000014  0.5360178399999995   T   T   T
  0.6314162500000009  0.6771602500000000  0.3850056100000003   F   F   F
  0.8751058400000034  0.6029641200000029  0.3049351100000024   F   F   F
  0.8217583599999969  0.6550425799999999  0.6493688500000019   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
  0.8420181600000021  0.8574176999999992  0.5445140300000020   T   T   T
  0.9667124200000003  0.3871360799999977  0.6509061699999990   T   T   T
  0.5418891200000004  0.2127052199999966  0.6477648500000015   T   T   T
  0.5752879300000018  0.5083151799999968  0.6929914500000010   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
  0.2985800699999999  0.1854385600000015  0.5512485599999977   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
  0.3583768399999983  0.4359828300000004  0.5945351900000020   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
  0.1979273299999988  0.4071483399999991  0.5132959700000015   T   T   T
  0.2664698500000000  0.0705962700000029  0.3561613999999977   F   F   F
  0.1485045000000014  0.0707492900000020  0.6363244699999981   T   T   T
  0.0131433999999970  0.1450372299999998  0.3359934599999974   F   F   F
  0.8950348099999985  0.2322623199999967  0.6589411699999985   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
  0.3875136600000033  0.6887961500000017  0.5664303599999982   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
  0.3747706699999966  0.9444413000000011  0.5909084899999968   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
  0.1872378099999992  0.8566930599999978  0.5192074400000024   T   T   T
  0.2762136799999979  0.5777090099999995  0.3582888800000035   F   F   F
  0.0278600299999994  0.6426468000000014  0.3268527999999975   F   F   F
  0.9256960499999991  0.5376110199999999  0.6796456800000001   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
  0.7853486899999993  0.2022189999999995  0.5564088100000006   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
  0.9245756799999967  0.4290731399999999  0.5857679100000013   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
  0.7055452099999968  0.4362882599999978  0.5144012499999988   T   T   T
  0.7579404299999979  0.0978471299999981  0.3596974299999971   F   F   F
  0.6675098400000010  0.0965708800000016  0.6502601199999987   T   T   T
  0.5073964099999984  0.1863024100000032  0.3377911700000027   F   F   F
  0.3917672400000001  0.1487769900000018  0.6611760199999992   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
  0.8453006000000016  0.7197501500000030  0.5848847999999975   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
  0.8869684800000002  0.9799678199999988  0.5936818300000013   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
  0.6929570499999969  0.9065717300000031  0.5192505799999978   T   T   T
  0.7753561399999995  0.6223722300000034  0.3596470800000020   F   F   F
  0.6774762300000035  0.5710981699999991  0.6445091599999984   T   T   T
  0.5193217400000023  0.6817928400000000  0.3340865300000004   F   F   F
  0.4292987500000010  0.5855702699999981  0.6786894600000011   T   T   T
  0.5686517600000016  0.3412054200000014  0.6897679400000030   T   T   T
  0.5389467600000017  0.2615086200000007  0.5801974800000025   T   T   T
  0.8274982599999987  0.7752073799999977  0.6981293199999996   T   T   T
  0.1232602199999988  0.3651861299999979  0.6724652899999981   T   T   T
  0.1846069699999973  0.6491888199999991  0.6343584199999981   T   T   T
  0.6347133700000001  0.5389242299999992  0.7572361200000017   T   T   T
  0.4006575100000020  0.6564866399999971  0.7945891500000002   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
  0.6159579400000013  0.2245028500000004  0.5577557499999983   T   T   T
  0.0779384499999978  0.0130110500000029  0.6189081200000004   T   T   T
  0.7695018499999975  0.8558373600000024  0.6948168600000031   T   T   T
  0.1499093299999998  0.2684519100000031  0.6747037100000028   T   T   T
  0.1333761200000012  0.6095651899999979  0.6660113800000005   T   T   T
  0.7340357799999992  0.5402727900000031  0.7612738300000004   T   T   T
  0.4941864600000017  0.6246610900000036  0.8005926399999979   T   T   T
  0.3959619399999994  0.6582084200000011  0.7521332600000008   T   T   T
 
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