./neb0_image01.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 neb0_image01
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Freeze int 0
Name string {{}}
Site int 1
Spin double 0.0
WyckoffPosition int -1
@end
@data
14 {} {0.129125880207 0.127357418319 0.385736240243} 7 Si1 1 0.0 1
14 {} {0.374795030207 0.121255968319 0.306871980243} 7 Si2 2 0.0 1
14 {} {0.301709492895 0.087793140272 0.60821669091} 0 Si3 3 0.0 1
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14 {} {0.0945009302067 0.379254988319 0.462287630243} 7 Si5 5 0.0 1
14 {} {0.352544350207 0.368142888319 0.228349920243} 7 Si6 6 0.0 1
14 {} {0.34599146778 0.343958436156 0.535894329249} 0 Si7 7 0.0 1
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8 {} {0.155377600207 0.267973468319 0.107323060243} 7 O5 12 0.0 1
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14 {} {0.129931190207 0.628481878319 0.381694370243} 7 Si8 24 0.0 1
14 {} {0.380687870207 0.621551868319 0.306382490243} 7 Si9 25 0.0 1
14 {} {0.331949167335 0.588651567124 0.618290455491} 0 Si10 26 0.0 1
14 {} {0.114591750207 0.893315568319 0.146303740243} 7 Si11 27 0.0 1
14 {} {0.0893630402067 0.873287098319 0.463284370243} 7 Si12 28 0.0 1
14 {} {0.360695780207 0.869046618319 0.228215260243} 7 Si13 29 0.0 1
14 {} {0.3479023217 0.837663971989 0.539339364212} 0 Si14 30 0.0 1
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14 {} {0.965810543806 0.385727131186 0.651253294212} 0 Si29 100 0.0 1
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