./neb0_image04.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_image04
@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 {} {0.126375450827 0.128919813276 0.385945400973} 7 Si1 1 0.0 1
14 {} {0.372044600827 0.122818363276 0.307081140973} 7 Si2 2 0.0 1
14 {} {0.299863417445 0.0869964142458 0.60783719333} 0 Si3 3 0.0 1
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14 {} {0.091750500827 0.380817383276 0.462496790973} 7 Si5 5 0.0 1
14 {} {0.349793920827 0.369705283276 0.228559080973} 7 Si6 6 0.0 1
14 {} {0.343458760725 0.34517449247 0.536313905669} 0 Si7 7 0.0 1
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8 {} {0.152627170827 0.269535863276 0.107532220973} 7 O5 12 0.0 1
8 {} {0.154396910827 0.277429473276 0.414920370973} 7 O6 13 0.0 1
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8 {} {0.265553040827 0.0711170732764 0.356231120973} 7 O13 20 0.0 1
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8 {} {0.895169662274 0.232683553842 0.659014453213} 0 O16 23 0.0 1
14 {} {0.127180760827 0.630044273276 0.381903530973} 7 Si8 24 0.0 1
14 {} {0.377937440827 0.623114263276 0.306591650973} 7 Si9 25 0.0 1
14 {} {0.336561791242 0.590316816222 0.618708870648} 0 Si10 26 0.0 1
14 {} {0.111841320827 0.894877963276 0.146512900973} 7 Si11 27 0.0 1
14 {} {0.086612610827 0.874849493276 0.463493530973} 7 Si12 28 0.0 1
14 {} {0.357945350827 0.870609013276 0.228424420973} 7 Si13 29 0.0 1
14 {} {0.345615706626 0.836850759814 0.5393123233} 0 Si14 30 0.0 1
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14 {} {0.623120740827 0.172055223276 0.386659330973} 7 Si15 46 0.0 1
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14 {} {0.966405539515 0.3875585005 0.650925285271} 0 Si29 100 0.0 1
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