./neb0_image06_initial.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_image06
@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
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14 {} {0.37021098124 0.123859959915 0.307220581459} 7 Si2 2 0.0 1
14 {} {0.303752345856 0.0888528155802 0.609152391024} 0 Si3 3 0.0 1
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14 {} {0.0899168812405 0.381858979915 0.462636231459} 7 Si5 5 0.0 1
14 {} {0.34796030124 0.370746879915 0.228698521459} 7 Si6 6 0.0 1
14 {} {0.342433025073 0.348201230133 0.536730530736} 0 Si7 7 0.0 1
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8 {} {0.15079355124 0.270577459915 0.107671661459} 7 O5 12 0.0 1
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14 {} {0.12534714124 0.631085869915 0.382042971459} 7 Si8 24 0.0 1
14 {} {0.37610382124 0.624155859915 0.306731091459} 7 Si9 25 0.0 1
14 {} {0.321585991077 0.594576530555 0.615200687839} 0 Si10 26 0.0 1
14 {} {0.11000770124 0.895919559915 0.146652341459} 7 Si11 27 0.0 1
14 {} {0.0847789912405 0.875891089915 0.463632971459} 7 Si12 28 0.0 1
14 {} {0.35611173124 0.871650609915 0.228563861459} 7 Si13 29 0.0 1
14 {} {0.342181104452 0.840254096537 0.538825994518} 0 Si14 30 0.0 1
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14 {} {0.62128712124 0.173096819915 0.386798771459} 7 Si15 46 0.0 1
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14 {} {0.964479522598 0.387560764005 0.650871703464} 0 Si29 100 0.0 1
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@data
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