./neb0_image05.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_image05
@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 {} {0.125458641034 0.129440611595 0.386015121216} 7 Si1 1 0.0 1
14 {} {0.371127791034 0.123339161595 0.307150861216} 7 Si2 2 0.0 1
14 {} {0.301276520502 0.0873896388445 0.608199606967} 0 Si3 3 0.0 1
14 {} {0.0978378510337 0.396884081595 0.149675611216} 7 Si4 4 0.0 1
14 {} {0.0908336910337 0.381338181595 0.462566511216} 7 Si5 5 0.0 1
14 {} {0.348877111034 0.370226081595 0.228628801216} 7 Si6 6 0.0 1
14 {} {0.342955303214 0.345416420971 0.536123517489} 0 Si7 7 0.0 1
8 {} {0.0688804710337 0.0165974215955 0.103352751216} 7 O1 8 0.0 1
8 {} {0.0787950410337 0.0301161415955 0.438489051216} 7 O2 9 0.0 1
8 {} {0.298766661034 0.242137381595 0.268415091216} 7 O3 10 0.0 1
8 {} {0.300315385105 0.184748795892 0.551208346438} 0 O4 11 0.0 1
8 {} {0.151710361034 0.270056661595 0.107601941216} 7 O5 12 0.0 1
8 {} {0.153480101034 0.277950271595 0.414990091216} 7 O6 13 0.0 1
8 {} {0.415466681034 0.490956791595 0.267892511216} 7 O7 14 0.0 1
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8 {} {0.195530728701 0.406181319904 0.513681602461} 0 O12 19 0.0 1
8 {} {0.264636231034 0.0716378715955 0.356300841216} 7 O13 20 0.0 1
8 {} {0.149841511483 0.070786869688 0.63678113512} 0 O14 21 0.0 1
8 {} {0.0113097810337 0.146078831595 0.336132901216} 7 O15 22 0.0 1
8 {} {0.896504145334 0.232250324552 0.658844619823} 0 O16 23 0.0 1
14 {} {0.126263951034 0.630565071595 0.381973251216} 7 Si8 24 0.0 1
14 {} {0.377020631034 0.623635061595 0.306661371216} 7 Si9 25 0.0 1
14 {} {0.333949821603 0.591214924185 0.616399672528} 0 Si10 26 0.0 1
14 {} {0.110924511034 0.895398761595 0.146582621216} 7 Si11 27 0.0 1
14 {} {0.0856958010337 0.875370291595 0.463563251216} 7 Si12 28 0.0 1
14 {} {0.357028541034 0.871129811595 0.228494141216} 7 Si13 29 0.0 1
14 {} {0.34394167704 0.838905468131 0.538958098557} 0 Si14 30 0.0 1
8 {} {0.0480848510337 0.521716001595 0.109715961216} 7 O17 31 0.0 1
8 {} {0.0681962610337 0.528471951595 0.431273551216} 7 O18 32 0.0 1
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8 {} {0.419051071034 0.993628101595 0.268306191216} 7 O23 37 0.0 1
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8 {} {0.274380061034 0.578750611595 0.358428321216} 7 O29 43 0.0 1
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8 {} {0.923373203956 0.538613916616 0.679977613737} 0 O31 45 0.0 1
14 {} {0.622203931034 0.172576021595 0.386729051216} 7 Si15 46 0.0 1
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14 {} {0.810380130554 0.124863237248 0.617854651534} 0 Si17 48 0.0 1
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14 {} {0.597427491034 0.424065811595 0.460984871216} 7 Si19 50 0.0 1
14 {} {0.844310141034 0.346934371595 0.229486501216} 7 Si20 51 0.0 1
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14 {} {0.629582631034 0.678201851595 0.385145051216} 7 Si22 69 0.0 1
14 {} {0.873272221034 0.604005721595 0.305074551216} 7 Si23 70 0.0 1
14 {} {0.816813612969 0.658625184231 0.652428667697} 0 Si24 71 0.0 1
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14 {} {0.587447681034 0.924258021595 0.463225341216} 7 Si26 73 0.0 1
14 {} {0.854407731034 0.849685991595 0.226434891216} 7 Si27 74 0.0 1
14 {} {0.838546047353 0.8565769619 0.545256556231} 0 Si28 75 0.0 1
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8 {} {0.43029696666 0.596985251073 0.67343912893} 0 O63 91 0.0 1
1 {} {0.100458741034 0.113454071595 0.107461231216} 7 H1 92 0.0 1
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1 {} {0.0932469410337 0.613493231595 0.109756191216} 7 H3 94 0.0 1
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14 {} {0.964568794785 0.388215877506 0.650906597193} 0 Si29 100 0.0 1
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14 {} {0.567955143053 0.518156882584 0.705787391131} 0 Si31 103 0.0 1
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