./iterations/neb0_image04_iter35_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
  0.1263754499999976  0.1289198099999993  0.3859453999999971   F   F   F
  0.3720446000000024  0.1228183599999966  0.3070811400000011   F   F   F
  0.3027029400000032  0.0879066999999978  0.6087632899999988   T   T   T
  0.0987546599999973  0.3963632800000028  0.1496058899999966   F   F   F
  0.0917505000000034  0.3808173800000034  0.4624967900000030   F   F   F
  0.3497939200000033  0.3697052799999980  0.2285590799999966   F   F   F
  0.3439651899999987  0.3472592899999967  0.5367393399999969   T   T   T
  0.1271807600000017  0.6300442699999991  0.3819035300000024   F   F   F
  0.3779374399999966  0.6231142600000013  0.3065916500000014   F   F   F
  0.3355783800000012  0.5901859399999978  0.6195724600000005   T   T   T
  0.1118413200000035  0.8948779600000023  0.1465128999999976   F   F   F
  0.0866126100000031  0.8748494900000026  0.4634935300000009   F   F   F
  0.3579453500000014  0.8706090100000026  0.2284244200000032   F   F   F
  0.3447028900000007  0.8377709000000024  0.5393804500000030   T   T   T
  0.6231207399999974  0.1720552199999972  0.3866593300000005   F   F   F
  0.8677915800000022  0.0977681399999994  0.3081307699999982   F   F   F
  0.8125681400000033  0.1221885599999979  0.6169170300000033   T   T   T
  0.5949912399999988  0.3678655900000010  0.1484679499999970   F   F   F
  0.5983443000000008  0.4235450099999980  0.4609151499999982   F   F   F
  0.8452269499999971  0.3464135700000028  0.2294167800000011   F   F   F
  0.8368962199999999  0.3531009299999965  0.5359388400000000   T   T   T
  0.6304994400000012  0.6776810499999968  0.3850753299999994   F   F   F
  0.8741890299999966  0.6034849199999996  0.3050048300000014   F   F   F
  0.8189265099999972  0.6574368100000001  0.6507780900000029   T   T   T
  0.6022978299999977  0.8683911999999978  0.1475303400000030   F   F   F
  0.5883644900000036  0.9237372199999996  0.4631556200000020   F   F   F
  0.8553245399999980  0.8491651900000008  0.2263651700000011   F   F   F
  0.8399921500000005  0.8559346600000026  0.5447451499999971   T   T   T
  0.9654341199999976  0.3874098200000020  0.6507452700000016   T   T   T
  0.5413156899999976  0.2165076499999969  0.6496656999999999   T   T   T
  0.5768709099999967  0.5076457300000001  0.6989799500000018   T   T   T
  0.0697972800000031  0.0160766199999998  0.1032830300000001   F   F   F
  0.0797118500000025  0.0295953400000002  0.4384193300000021   F   F   F
  0.2996834699999980  0.2416165799999987  0.2683453699999987   F   F   F
  0.3022664100000014  0.1868844299999992  0.5522268499999967   T   T   T
  0.1526271700000024  0.2695358599999977  0.1075322200000031   F   F   F
  0.1543969100000027  0.2774294700000013  0.4149203699999973   F   F   F
  0.4163834900000012  0.4904359900000017  0.2678227899999968   F   F   F
  0.3584067899999965  0.4364346500000025  0.5955957999999981   T   T   T
  0.4633952399999970  0.3097826999999995  0.1840226999999999   F   F   F
  0.4466544599999978  0.3757933099999988  0.4805919900000006   F   F   F
  0.2209284999999994  0.4363666300000020  0.1943376999999984   F   F   F
  0.1967581299999992  0.4068035100000031  0.5137347200000022   T   T   T
  0.2655530400000004  0.0711170699999997  0.3562311199999968   F   F   F
  0.1506055899999978  0.0718156399999970  0.6369404900000006   T   T   T
  0.0122265899999974  0.1455580299999966  0.3360631799999965   F   F   F
  0.8955844999999982  0.2312103900000011  0.6584021800000031   T   T   T
  0.0490016600000018  0.5211952000000011  0.1096462400000036   F   F   F
  0.0691130700000002  0.5279511499999998  0.4312038300000012   F   F   F
  0.3065363500000018  0.7430157699999995  0.2681689100000000   F   F   F
  0.3818204199999968  0.6881640300000029  0.5656494799999976   T   T   T
  0.1640153399999988  0.7634771700000016  0.1065907600000031   F   F   F
  0.1422583299999971  0.7791494599999993  0.4120618999999976   F   F   F
  0.4199678800000015  0.9931072999999984  0.2682364699999980   F   F   F
  0.3748828700000004  0.9439914599999994  0.5913700699999964   T   T   T
  0.4748129600000013  0.8102625799999998  0.1855303000000035   F   F   F
  0.4380541700000009  0.8711010099999967  0.4835746999999984   F   F   F
  0.2317341600000020  0.9358423400000007  0.1921083599999989   F   F   F
  0.1857705999999979  0.8633133100000023  0.5195497699999976   T   T   T
  0.2752968699999983  0.5782298100000034  0.3583586000000025   F   F   F
  0.0269432199999997  0.6431675999999982  0.3269225199999966   F   F   F
  0.9235359400000007  0.5386886200000021  0.6790329000000028   T   T   T
  0.5561864299999968  0.9886752999999970  0.1044517200000001   F   F   F
  0.5737637499999977  0.0811225200000010  0.4414382599999982   F   F   F
  0.8156517999999977  0.1957784700000005  0.2564272600000024   F   F   F
  0.7844468400000011  0.2005441700000006  0.5560183199999997   T   T   T
  0.6487133999999983  0.2376882300000034  0.1082148400000023   F   F   F
  0.6570305999999988  0.3255552999999978  0.4101495199999974   F   F   F
  0.8772986199999977  0.4457524500000005  0.2834965400000016   F   F   F
  0.9207310600000014  0.4291213400000018  0.5859587799999986   T   T   T
  0.9733377299999972  0.3301860799999972  0.1858333200000004   F   F   F
  0.9446771499999969  0.3273595100000009  0.4870636899999994   F   F   F
  0.7144866900000011  0.4061757500000027  0.1944874200000015   F   F   F
  0.7045013600000019  0.4360368600000015  0.5144809199999969   T   T   T
  0.7570236199999982  0.0983679300000020  0.3597671500000033   F   F   F
  0.6666584700000016  0.1007259000000005  0.6513129499999977   T   T   T
  0.5064795999999987  0.1868232100000000  0.3378608900000017   F   F   F
  0.3934213499999970  0.1477344799999969  0.6621361300000004   T   T   T
  0.5524188400000014  0.4898683500000018  0.1056590099999966   F   F   F
  0.5860876599999969  0.5798929600000022  0.4380081600000025   F   F   F
  0.8243765100000005  0.6965571100000005  0.2513683099999966   F   F   F
  0.8365002000000032  0.7187937599999970  0.5854822499999983   T   T   T
  0.6528292899999997  0.7367359100000002  0.1074509899999967   F   F   F
  0.6466623199999972  0.8315908900000011  0.4108706999999967   F   F   F
  0.8877870000000030  0.9454801899999978  0.2815129700000014   F   F   F
  0.8862185899999986  0.9789335399999999  0.5936643599999982   T   T   T
  0.9833254799999978  0.8354882100000012  0.1828059400000015   F   F   F
  0.9348731400000005  0.8294676399999972  0.4859474699999993   F   F   F
  0.7249935899999969  0.9104050400000006  0.1915730999999994   F   F   F
  0.6919008400000024  0.9069179600000012  0.5192650099999980   T   T   T
  0.7744393299999999  0.6228930300000002  0.3597168000000011   F   F   F
  0.6719787999999980  0.5803836300000000  0.6513811499999989   T   T   T
  0.5184049300000027  0.6823136399999967  0.3341562499999995   F   F   F
  0.4297564100000031  0.5867957999999973  0.6794168200000001   T   T   T
  0.5554980799999996  0.3436774199999988  0.6923161899999997   T   T   T
  0.5418118600000028  0.2686518000000007  0.5829501999999991   T   T   T
  0.8288707900000034  0.7785041599999971  0.6986992599999979   T   T   T
  0.1216415600000005  0.3657666699999993  0.6728907700000022   T   T   T
  0.1798009800000031  0.6454148600000025  0.6304160800000034   T   T   T
  0.6568442399999981  0.5088592399999996  0.7615222299999971   T   T   T
  0.4141496100000026  0.6485380199999966  0.7844834400000025   T   T   T
  0.1013755500000002  0.1129332699999992  0.1073915099999994   F   F   F
  0.1979485900000029  0.2986887499999966  0.0726709200000002   F   F   F
  0.0941637499999999  0.6129724299999992  0.1096864699999998   F   F   F
  0.2082625399999998  0.7889989000000028  0.0709895700000018   F   F   F
  0.5905802799999975  0.0848040500000025  0.1081688200000031   F   F   F
  0.6873237399999965  0.2649370600000012  0.0717117900000019   F   F   F
  0.5908505900000023  0.5845063499999981  0.1084408299999993   F   F   F
  0.6928124499999981  0.7626711200000003  0.0710351000000031   F   F   F
  0.6149064100000032  0.2273652399999975  0.5599052399999991   T   T   T
  0.0806132499999990  0.0144413000000014  0.6190101199999987   T   T   T
  0.7688732700000003  0.8574306699999994  0.6950000300000028   T   T   T
  0.1488180099999994  0.2688821599999969  0.6746066899999974   T   T   T
  0.1203538099999975  0.6133510200000032  0.6609298600000031   T   T   T
  0.7546075200000004  0.5305108499999989  0.7634065700000008   T   T   T
  0.4999676899999983  0.6121942199999992  0.7978164599999999   T   T   T
  0.4108118700000034  0.6500011199999989  0.7435274199999995   T   T   T
 
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