./iterations/neb0_image02_iter44_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
  0.1282090699999969  0.1278782199999995  0.3858059599999990   F   F   F
  0.3738782200000017  0.1217767699999968  0.3069417000000030   F   F   F
  0.3017587200000023  0.0872129400000006  0.6083068000000011   T   T   T
  0.1005882799999966  0.3953216900000029  0.1494664499999985   F   F   F
  0.0935841200000027  0.3797757899999965  0.4623573499999978   F   F   F
  0.3516275400000026  0.3686636899999982  0.2284196399999985   F   F   F
  0.3454847900000004  0.3452158300000008  0.5364349099999970   T   T   T
  0.1290143800000010  0.6290026799999993  0.3817640899999972   F   F   F
  0.3797710600000030  0.6220726700000014  0.3064522100000033   F   F   F
  0.3349915599999989  0.5883380200000019  0.6194237899999990   T   T   T
  0.1136749400000028  0.8938363700000025  0.1463734599999995   F   F   F
  0.0884462300000024  0.8738079000000027  0.4633540900000028   F   F   F
  0.3597789700000007  0.8695674200000028  0.2282849799999980   F   F   F
  0.3472047200000006  0.8369275599999995  0.5395980600000030   T   T   T
  0.6249543599999967  0.1710136299999974  0.3865198900000024   F   F   F
  0.8696252000000015  0.0967265499999996  0.3079913300000001   F   F   F
  0.8144191000000021  0.1215959399999988  0.6167257299999989   T   T   T
  0.5968248599999981  0.3668240000000011  0.1483285099999989   F   F   F
  0.6001779200000001  0.4225034199999982  0.4607757100000001   F   F   F
  0.8470605699999965  0.3453719800000030  0.2292773400000030   F   F   F
  0.8390692899999976  0.3529905799999966  0.5358730800000018   T   T   T
  0.6323330600000006  0.6766394599999970  0.3849358900000013   F   F   F
  0.8760226500000030  0.6024433299999998  0.3048653900000033   F   F   F
  0.8193385800000001  0.6554829600000005  0.6497020300000003   T   T   T
  0.6041314499999970  0.8673496099999980  0.1473908999999978   F   F   F
  0.5901981100000029  0.9226956299999998  0.4630161799999968   F   F   F
  0.8571581599999973  0.8481236000000010  0.2262257300000030   F   F   F
  0.8423174899999992  0.8563086799999979  0.5443442600000026   T   T   T
  0.9657456699999969  0.3859782299999992  0.6510512400000010   T   T   T
  0.5426976899999971  0.2141120599999979  0.6478144000000015   T   T   T
  0.5708996199999987  0.5106462899999968  0.6942932899999974   T   T   T
  0.0716309000000024  0.0150350299999999  0.1031435900000020   F   F   F
  0.0815454700000018  0.0285537500000004  0.4382798899999969   F   F   F
  0.3015170899999973  0.2405749899999989  0.2682059300000006   F   F   F
  0.2992720399999982  0.1858916400000012  0.5517700199999993   T   T   T
  0.1544607900000017  0.2684942699999979  0.1073927799999979   F   F   F
  0.1562305300000020  0.2763878800000015  0.4147809299999992   F   F   F
  0.4182171100000005  0.4893944000000019  0.2676833499999987   F   F   F
  0.3606729400000006  0.4349221900000018  0.5951125599999969   T   T   T
  0.4652288600000034  0.3087411099999997  0.1838832600000018   F   F   F
  0.4484880799999971  0.3747517199999990  0.4804525500000025   F   F   F
  0.2227621199999987  0.4353250400000022  0.1941982600000003   F   F   F
  0.1990840799999987  0.4070600200000030  0.5133107799999976   T   T   T
  0.2673866599999997  0.0700754799999999  0.3560916799999987   F   F   F
  0.1508657199999988  0.0697559600000019  0.6373002300000010   T   T   T
  0.0140602099999967  0.1445164399999967  0.3359237399999984   F   F   F
  0.8961617499999974  0.2303040999999979  0.6586078400000019   T   T   T
  0.0508352800000011  0.5201536100000013  0.1095067999999983   F   F   F
  0.0709466899999995  0.5269095600000000  0.4310643900000031   F   F   F
  0.3083699700000011  0.7419741799999997  0.2680294700000019   F   F   F
  0.3848303899999976  0.6885706899999988  0.5669120399999983   T   T   T
  0.1658489599999982  0.7624355800000018  0.1064513199999979   F   F   F
  0.1440919500000035  0.7781078699999995  0.4119224599999995   F   F   F
  0.4218015000000008  0.9920657099999985  0.2680970299999998   F   F   F
  0.3767511900000002  0.9446779399999983  0.5910920399999995   T   T   T
  0.4766465800000006  0.8092209900000000  0.1853908599999983   F   F   F
  0.4398877900000002  0.8700594199999969  0.4834352600000003   F   F   F
  0.2335677800000013  0.9348007500000008  0.1919689200000008   F   F   F
  0.1881918799999980  0.8605964799999981  0.5193981399999998   T   T   T
  0.2771304899999976  0.5771882199999965  0.3582191599999973   F   F   F
  0.0287768399999990  0.6421260099999984  0.3267830799999984   F   F   F
  0.9209412299999968  0.5357708299999970  0.6797581900000012   T   T   T
  0.5580200500000032  0.9876337099999972  0.1043122800000020   F   F   F
  0.5755973699999970  0.0800809300000012  0.4412988200000001   F   F   F
  0.8174854199999970  0.1947368800000007  0.2562878199999972   F   F   F
  0.7856749099999973  0.2009336899999994  0.5561009199999987   T   T   T
  0.6505470199999976  0.2366466399999965  0.1080753999999970   F   F   F
  0.6588642199999981  0.3245137099999980  0.4100100799999993   F   F   F
  0.8791322399999970  0.4447108600000007  0.2833571000000035   F   F   F
  0.9244380100000029  0.4279741200000018  0.5858016600000013   T   T   T
  0.9751713499999966  0.3291444899999973  0.1856938800000023   F   F   F
  0.9465107700000033  0.3263179200000010  0.4869242500000013   F   F   F
  0.7163203100000004  0.4051341600000029  0.1943479800000034   F   F   F
  0.7064129800000032  0.4353694300000015  0.5142778399999983   T   T   T
  0.7588572399999975  0.0973263400000022  0.3596277099999980   F   F   F
  0.6678941099999989  0.0973510700000020  0.6502965399999994   T   T   T
  0.5083132199999980  0.1857816200000002  0.3377214499999965   F   F   F
  0.3929943999999992  0.1498353400000028  0.6615798899999987   T   T   T
  0.5542524600000007  0.4888267600000020  0.1055195699999985   F   F   F
  0.5879212800000033  0.5788513700000024  0.4378687199999973   F   F   F
  0.8262101299999998  0.6955155200000007  0.2512288699999985   F   F   F
  0.8430923800000016  0.7183085799999986  0.5848116299999973   T   T   T
  0.6546629099999990  0.7356943200000003  0.1073115499999986   F   F   F
  0.6484959399999966  0.8305493000000013  0.4107312599999986   F   F   F
  0.8896206200000023  0.9444385999999980  0.2813735300000033   F   F   F
  0.8874146400000029  0.9785957200000013  0.5935807899999972   T   T   T
  0.9851590999999971  0.8344466200000014  0.1826665000000034   F   F   F
  0.9367067599999999  0.8284260499999974  0.4858080300000012   F   F   F
  0.7268272100000033  0.9093634500000007  0.1914336600000013   F   F   F
  0.6936642399999968  0.9059145100000023  0.5190697999999969   T   T   T
  0.7762729499999992  0.6218514400000004  0.3595773600000030   F   F   F
  0.6719940600000029  0.5770876999999999  0.6463169900000025   T   T   T
  0.5202385500000020  0.6812720499999969  0.3340168100000014   F   F   F
  0.4235499799999971  0.5854871800000012  0.6803275500000012   T   T   T
  0.5694629600000027  0.3429341599999987  0.6897269199999982   T   T   T
  0.5398196299999967  0.2627851800000016  0.5802388399999998   T   T   T
  0.8276818699999993  0.7765315700000031  0.6982179800000026   T   T   T
  0.1216892099999995  0.3660646000000014  0.6736099800000019   T   T   T
  0.1809554499999990  0.6448391500000028  0.6326700999999986   T   T   T
  0.6237410199999971  0.5405855400000021  0.7596580499999988   T   T   T
  0.3817899200000028  0.6807000599999995  0.7948116399999989   T   T   T
  0.1032091699999995  0.1118916799999994  0.1072520700000013   F   F   F
  0.1997822100000022  0.2976471599999968  0.0725314800000021   F   F   F
  0.0959973699999992  0.6119308399999994  0.1095470300000017   F   F   F
  0.2100961599999991  0.7879573100000030  0.0708501299999966   F   F   F
  0.5924138999999968  0.0837624600000026  0.1080293799999978   F   F   F
  0.6891573600000029  0.2638954700000014  0.0715723499999967   F   F   F
  0.5926842100000016  0.5834647599999983  0.1083013900000012   F   F   F
  0.6946460699999975  0.7616295300000004  0.0708956599999979   F   F   F
  0.6159589999999966  0.2247159200000013  0.5577312799999987   T   T   T
  0.0807117700000006  0.0124890700000009  0.6194045700000004   T   T   T
  0.7677178799999993  0.8558686499999979  0.6946319299999999   T   T   T
  0.1501488899999970  0.2699488499999987  0.6757704999999987   T   T   T
  0.1278916600000031  0.6101246400000022  0.6647519599999967   T   T   T
  0.7224458999999968  0.5346578699999966  0.7660548400000025   T   T   T
  0.4687939299999968  0.6310110399999971  0.7990654000000035   T   T   T
  0.3666480699999966  0.6830718800000000  0.7539860899999979   T   T   T
 
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