iterations/neb0_image04_iter78_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
  0.2995496599999967  0.0871176300000016  0.6076568900000012   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
  0.3439000799999974  0.3452113000000026  0.5362281900000028   T   T   T
  0.1271807600000017  0.6300442699999991  0.3819035300000024   F   F   F
  0.3779374399999966  0.6231142600000013  0.3065916500000014   F   F   F
  0.3375405700000016  0.5901905600000035  0.6186914099999967   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
  0.3455015500000016  0.8368727399999969  0.5391980699999976   T   T   T
  0.6231207399999974  0.1720552199999972  0.3866593300000005   F   F   F
  0.8677915800000022  0.0977681399999994  0.3081307699999982   F   F   F
  0.8128413499999994  0.1239871300000033  0.6173829000000026   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
  0.8377595500000012  0.3551199999999994  0.5361488100000003   T   T   T
  0.6304994400000012  0.6776810499999968  0.3850753299999994   F   F   F
  0.8741890299999966  0.6034849199999996  0.3050048300000014   F   F   F
  0.8220478000000000  0.6556218999999999  0.6497238700000025   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
  0.8408966499999977  0.8577916799999983  0.5446675999999968   T   T   T
  0.9667385899999985  0.3877370200000030  0.6509138799999974   T   T   T
  0.5400826699999968  0.2152883099999983  0.6482096399999975   T   T   T
  0.5751294200000032  0.5113768800000003  0.6944239700000026   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
  0.2979824100000030  0.1853473099999974  0.5508918299999976   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
  0.3568606199999991  0.4351654399999987  0.5950756200000029   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
  0.1971743599999982  0.4070524400000011  0.5134926799999988   T   T   T
  0.2655530400000004  0.0711170699999997  0.3562311199999968   F   F   F
  0.1480297600000000  0.0703349099999997  0.6362148899999980   T   T   T
  0.0122265899999974  0.1455580299999966  0.3360631799999965   F   F   F
  0.8949248600000033  0.2328168499999990  0.6592040199999971   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
  0.3857547499999967  0.6881545999999972  0.5653809499999980   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
  0.3738813100000016  0.9435875100000004  0.5911869600000017   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
  0.1860507900000030  0.8580297800000025  0.5193751700000035   T   T   T
  0.2752968699999983  0.5782298100000034  0.3583586000000025   F   F   F
  0.0269432199999997  0.6431675999999982  0.3269225199999966   F   F   F
  0.9254961099999974  0.5377268200000032  0.6801724800000031   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
  0.7842093499999976  0.2034201299999978  0.5568140999999969   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
  0.9240550399999989  0.4298481499999980  0.5858489700000007   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
  0.7047963400000015  0.4367640700000024  0.5143935199999987   T   T   T
  0.7570236199999982  0.0983679300000020  0.3597671500000033   F   F   F
  0.6663179800000023  0.0997888200000006  0.6510212499999994   T   T   T
  0.5064795999999987  0.1868232100000000  0.3378608900000017   F   F   F
  0.3899938200000008  0.1502914900000007  0.6610039500000013   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
  0.8443103800000031  0.7202519100000018  0.5850187899999995   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
  0.8851370300000028  0.9802664600000028  0.5941524899999990   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
  0.6918794700000035  0.9065734500000033  0.5192340600000023   T   T   T
  0.7744393299999999  0.6228930300000002  0.3597168000000011   F   F   F
  0.6775989599999974  0.5721918899999991  0.6447768000000025   T   T   T
  0.5184049300000027  0.6823136399999967  0.3341562499999995   F   F   F
  0.4316330799999974  0.5899974399999977  0.6775201399999986   T   T   T
  0.5652222900000012  0.3435909700000011  0.6907155800000027   T   T   T
  0.5372740099999973  0.2629356099999995  0.5804222599999989   T   T   T
  0.8285812499999992  0.7759903399999999  0.6985866200000004   T   T   T
  0.1232698299999981  0.3661670299999997  0.6724478499999975   T   T   T
  0.1857212000000033  0.6494860999999972  0.6344282499999991   T   T   T
  0.6438308500000005  0.5443311399999970  0.7574025699999964   T   T   T
  0.4015705400000016  0.6167971799999989  0.7920269999999974   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
  0.6142012899999969  0.2249833500000022  0.5582715500000006   T   T   T
  0.0770007599999971  0.0130631600000015  0.6188453500000008   T   T   T
  0.7714593800000031  0.8572529400000022  0.6947486199999986   T   T   T
  0.1502504999999985  0.2695804299999978  0.6745199900000003   T   T   T
  0.1362139200000030  0.6096866000000034  0.6666100699999973   T   T   T
  0.7440638699999980  0.5409593999999984  0.7567447200000004   T   T   T
  0.4994235699999976  0.6323784499999974  0.7995848699999968   T   T   T
  0.3884903699999995  0.6598586900000001  0.7548305199999987   T   T   T
 
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