iterations/neb0_image03_iter45_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
  0.3015070200000025  0.0870511500000006  0.6082672599999981   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
  0.3447152700000018  0.3461418400000014  0.5365583900000033   T   T   T
  0.1280975700000013  0.6295234700000023  0.3818338100000034   F   F   F
  0.3788542500000034  0.6225934599999974  0.3065219300000024   F   F   F
  0.3370911000000021  0.5886858499999974  0.6198900199999997   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
  0.3464929699999999  0.8366249899999971  0.5396367299999980   T   T   T
  0.6240375499999971  0.1715344200000004  0.3865896100000015   F   F   F
  0.8687083900000019  0.0972473400000027  0.3080610499999992   F   F   F
  0.8139169000000024  0.1222518800000003  0.6168145299999992   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
  0.8378847500000006  0.3532725800000023  0.5358732500000016   T   T   T
  0.6314162500000009  0.6771602500000000  0.3850056100000003   F   F   F
  0.8751058400000034  0.6029641200000029  0.3049351100000024   F   F   F
  0.8206269300000031  0.6566603999999998  0.6500709499999999   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
  0.8413371199999986  0.8570884299999975  0.5444009400000027   T   T   T
  0.9659156000000024  0.3866178000000033  0.6508094699999987   T   T   T
  0.5415293800000001  0.2133694400000010  0.6484554900000035   T   T   T
  0.5760475200000030  0.5071205599999971  0.6956696600000001   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
  0.3011106900000016  0.1862579900000014  0.5519181599999996   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
  0.3597514100000012  0.4352289699999972  0.5953605600000031   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
  0.1978629099999978  0.4069461899999993  0.5135685999999993   T   T   T
  0.2664698500000000  0.0705962700000029  0.3561613999999977   F   F   F
  0.1501032999999978  0.0712728100000035  0.6369031400000011   T   T   T
  0.0131433999999970  0.1450372299999998  0.3359934599999974   F   F   F
  0.8954393899999999  0.2314156400000016  0.6585646799999978   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
  0.3857053300000004  0.6885864699999971  0.5669674299999983   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
  0.3756253600000008  0.9441710199999989  0.5912048599999977   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
  0.1873784799999996  0.8608459100000019  0.5194462700000031   T   T   T
  0.2762136799999979  0.5777090099999995  0.3582888800000035   F   F   F
  0.0278600299999994  0.6426468000000014  0.3268527999999975   F   F   F
  0.9245730700000010  0.5376957499999975  0.6794788400000016   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
  0.7850735399999991  0.2009058499999981  0.5560484900000020   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
  0.9225720800000019  0.4289034800000024  0.5858454500000008   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
  0.7053683700000022  0.4357481999999990  0.5143259800000024   T   T   T
  0.7579404299999979  0.0978471299999981  0.3596974299999971   F   F   F
  0.6679572700000023  0.0977037500000009  0.6507381500000022   T   T   T
  0.5073964099999984  0.1863024100000032  0.3377911700000027   F   F   F
  0.3923916800000029  0.1474967400000011  0.6618587700000020   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
  0.8412116599999990  0.7192175200000008  0.5849153899999990   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
  0.8867392300000034  0.9791187000000008  0.5936832200000026   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
  0.6926936400000017  0.9065700399999983  0.5191247400000023   T   T   T
  0.7753561399999995  0.6223722300000034  0.3596470800000020   F   F   F
  0.6745061399999983  0.5760661999999996  0.6475470800000025   T   T   T
  0.5193217400000023  0.6817928400000000  0.3340865300000004   F   F   F
  0.4285837299999997  0.5844620100000029  0.6799000399999997   T   T   T
  0.5635546899999966  0.3410301700000034  0.6910341800000026   T   T   T
  0.5409075099999967  0.2658939100000026  0.5813794000000030   T   T   T
  0.8287513000000004  0.7777667599999987  0.6986119299999984   T   T   T
  0.1219497000000018  0.3654877000000027  0.6729813199999981   T   T   T
  0.1835347900000031  0.6463398400000031  0.6327319999999972   T   T   T
  0.6402449200000007  0.5256694600000031  0.7599923300000029   T   T   T
  0.4020700000000019  0.6639300100000014  0.7907589000000002   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
  0.6159038500000023  0.2260394500000018  0.5587361600000023   T   T   T
  0.0801462900000018  0.0137628900000024  0.6190866900000032   T   T   T
  0.7686828200000022  0.8570417399999997  0.6949139600000009   T   T   T
  0.1493617499999971  0.2689594599999978  0.6749277500000019   T   T   T
  0.1248866600000014  0.6114072000000021  0.6629840599999994   T   T   T
  0.7396231800000024  0.5331860599999985  0.7627788799999990   T   T   T
  0.4891386700000027  0.6180647099999987  0.7981209699999994   T   T   T
  0.3937700700000022  0.6641090700000021  0.7486974099999983   T   T   T
 
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