./final.sci output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)

Status: running
#MD System 2.0

@Title (COD #9001578) (0 0 1)  surface_2x2x1

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	Connections	string	{{}}
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@data
14 {} {0.13004269 0.12683662 0.38566652} 7 Si1 1 0.0 1
14 {} {0.37571184 0.12073517 0.30680226} 7 Si2 2 0.0 1
14 {} {0.313774492624 0.0845425741861 0.608864942367} 0 Si3 3 0.0 1
14 {} {0.1024219 0.39428009 0.14932701} 7 Si4 4 0.0 1
14 {} {0.09541774 0.37873419 0.46221791} 7 Si5 5 0.0 1
14 {} {0.35346116 0.36762209 0.2282802} 7 Si6 6 0.0 1
14 {} {0.348689593077 0.346253981758 0.53660073975} 0 Si7 7 0.0 1
8 {} {0.07346452 0.01399343 0.10300415} 7 O1 8 0.0 1
8 {} {0.08337909 0.02751215 0.43814045} 7 O2 9 0.0 1
8 {} {0.30335071 0.23953339 0.26806649} 7 O3 10 0.0 1
8 {} {0.318627280115 0.183763680836 0.552389527386} 0 O4 11 0.0 1
8 {} {0.15629441 0.26745267 0.10725334} 7 O5 12 0.0 1
8 {} {0.15806415 0.27534628 0.41464149} 7 O6 13 0.0 1
8 {} {0.42005073 0.4883528 0.26754391} 7 O7 14 0.0 1
8 {} {0.361591333817 0.43720507587 0.595002967964} 0 O8 15 0.0 1
8 {} {0.46706248 0.30769951 0.18374382} 7 O9 16 0.0 1
8 {} {0.4503217 0.37371012 0.48031311} 7 O10 17 0.0 1
8 {} {0.22459574 0.43428344 0.19405882} 7 O11 18 0.0 1
8 {} {0.19914566386 0.400328292187 0.514243643779} 0 O12 19 0.0 1
8 {} {0.26922028 0.06903388 0.35595224} 7 O13 20 0.0 1
8 {} {0.159798499017 0.0719262285502 0.635920324035} 0 O14 21 0.0 1
8 {} {0.01589383 0.14347484 0.3357843} 7 O15 22 0.0 1
8 {} {0.904763661687 0.226527780664 0.65657295294} 0 O16 23 0.0 1
14 {} {0.130848 0.62796108 0.38162465} 7 Si8 24 0.0 1
14 {} {0.38160468 0.62103107 0.30631277} 7 Si9 25 0.0 1
14 {} {0.326183673772 0.5937700341 0.613042389996} 0 Si10 26 0.0 1
14 {} {0.11550856 0.89279477 0.14623402} 7 Si11 27 0.0 1
14 {} {0.09027985 0.8727663 0.46321465} 7 Si12 28 0.0 1
14 {} {0.36161259 0.86852582 0.22814554} 7 Si13 29 0.0 1
14 {} {0.347356564726 0.836385574474 0.537867761381} 0 Si14 30 0.0 1
8 {} {0.0526689 0.51911201 0.10936736} 7 O17 31 0.0 1
8 {} {0.07278031 0.52586796 0.43092495} 7 O18 32 0.0 1
8 {} {0.31020359 0.74093258 0.26789003} 7 O19 33 0.0 1
8 {} {0.382431300653 0.682722950055 0.558576103037} 0 O20 34 0.0 1
8 {} {0.16768258 0.76139398 0.10631188} 7 O21 35 0.0 1
8 {} {0.14592557 0.77706627 0.41178302} 7 O22 36 0.0 1
8 {} {0.42363512 0.99102411 0.26795759} 7 O23 37 0.0 1
8 {} {0.379788896131 0.9372864302 0.591659694407} 0 O24 38 0.0 1
8 {} {0.4784802 0.80817939 0.18525142} 7 O25 39 0.0 1
8 {} {0.44172141 0.86901782 0.48329582} 7 O26 40 0.0 1
8 {} {0.2354014 0.93375915 0.19182948} 7 O27 41 0.0 1
8 {} {0.188737913836 0.863897445793 0.519248570252} 0 O28 42 0.0 1
8 {} {0.27896411 0.57614662 0.35807972} 7 O29 43 0.0 1
8 {} {0.03061046 0.64108441 0.32664364} 7 O30 44 0.0 1
8 {} {0.94742056721 0.543326795935 0.675568609978} 0 O31 45 0.0 1
14 {} {0.62678798 0.16997203 0.38638045} 7 Si15 46 0.0 1
14 {} {0.87145882 0.09568495 0.30785189} 7 Si16 47 0.0 1
14 {} {0.821331725297 0.11679692992 0.615775091096} 0 Si17 48 0.0 1
14 {} {0.59865848 0.3657824 0.14818907} 7 Si18 49 0.0 1
14 {} {0.60201154 0.42146182 0.46063627} 7 Si19 50 0.0 1
14 {} {0.84889419 0.34433038 0.2291379} 7 Si20 51 0.0 1
14 {} {0.839616251346 0.348789521313 0.535527363489} 0 Si21 52 0.0 1
8 {} {0.55985367 0.98659211 0.10417284} 7 O32 53 0.0 1
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14 {} {0.63416668 0.67559786 0.38479645} 7 Si22 69 0.0 1
14 {} {0.87785627 0.60140173 0.30472595} 7 Si23 70 0.0 1
14 {} {0.825291671991 0.652638784762 0.652689334142} 0 Si24 71 0.0 1
14 {} {0.60596507 0.86630801 0.14725146} 7 Si25 72 0.0 1
14 {} {0.59203173 0.92165403 0.46287674} 7 Si26 73 0.0 1
14 {} {0.85899178 0.847082 0.22608629} 7 Si27 74 0.0 1
14 {} {0.842576581604 0.851529460273 0.544570633525} 0 Si28 75 0.0 1
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8 {} {0.89145424 0.943397 0.28123409} 7 O54 82 0.0 1
8 {} {0.894292471644 0.973423063583 0.592599732999} 0 O55 83 0.0 1
8 {} {0.98699272 0.83340502 0.18252706} 7 O56 84 0.0 1
8 {} {0.93854038 0.82738445 0.48566859} 7 O57 85 0.0 1
8 {} {0.72866083 0.90832185 0.19129422} 7 O58 86 0.0 1
8 {} {0.695347679518 0.904273097895 0.518913526022} 0 O59 87 0.0 1
8 {} {0.77810657 0.62080984 0.35943792} 7 O60 88 0.0 1
8 {} {0.686780747801 0.56113495992 0.665222191885} 0 O61 89 0.0 1
8 {} {0.52207217 0.68023045 0.33387737} 7 O62 90 0.0 1
8 {} {0.407462061804 0.613226622316 0.673350087884} 0 O63 91 0.0 1
1 {} {0.10504279 0.11085008 0.10711263} 7 H1 92 0.0 1
1 {} {0.20161583 0.29660556 0.07239204} 7 H2 93 0.0 1
1 {} {0.09783099 0.61088924 0.10940759} 7 H3 94 0.0 1
1 {} {0.21192978 0.78691571 0.07071069} 7 H4 95 0.0 1
1 {} {0.59424752 0.08272086 0.10788994} 7 H5 96 0.0 1
1 {} {0.69099098 0.26285387 0.07143291} 7 H6 97 0.0 1
1 {} {0.59451783 0.58242316 0.10816195} 7 H7 98 0.0 1
1 {} {0.69647969 0.76058793 0.07075622} 7 H8 99 0.0 1
14 {} {0.973376098951 0.384023490171 0.649760301926} 0 Si29 100 0.0 1
14 {} {0.554777708628 0.210017646593 0.653422584081} 0 Si30 101 0.0 1
8 {} {0.577347710688 0.324524028851 0.702156669367} 0 O64 102 0.0 1
14 {} {0.649226409698 0.46796764773 0.722203841547} 0 Si31 103 0.0 1
8 {} {0.555150417612 0.274975400957 0.588610384559} 0 O65 104 0.0 1
1 {} {0.622726330474 0.229961763528 0.563715162989} 0 H9 105 0.0 1
1 {} {0.0903183012408 0.0146957269691 0.617411484217} 0 H10 106 0.0 1
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1 {} {0.780030511203 0.856376104368 0.69502643642} 0 H11 108 0.0 1
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1 {} {0.153934913671 0.261318370053 0.671164318941} 0 H12 110 0.0 1
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1 {} {0.111601328447 0.613490377618 0.651449827327} 0 H13 112 0.0 1
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