./iterations/neb0_image09_iter49.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_image09

@Columns AsymmetricAtom
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	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Freeze	int	0
	Name	string	{{}}
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	Spin	double	0.0
	WyckoffPosition	int	-1
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@data
14 {} {0.121791401861 0.131523804872 0.386294002189} 7 Si1 1 0.0 1
14 {} {0.367460551861 0.125422354872 0.307429742189} 7 Si2 2 0.0 1
14 {} {0.304090447883 0.0898986115349 0.609589152249} 0 Si3 3 0.0 1
14 {} {0.0941706118607 0.398967274872 0.149954492189} 7 Si4 4 0.0 1
14 {} {0.0871664518607 0.383421374872 0.462845392189} 7 Si5 5 0.0 1
14 {} {0.345209871861 0.372309274872 0.228907682189} 7 Si6 6 0.0 1
14 {} {0.340805870041 0.351452738278 0.53726318948} 0 Si7 7 0.0 1
8 {} {0.0652132318607 0.0186806148719 0.103631632189} 7 O1 8 0.0 1
8 {} {0.0751278018607 0.0321993348719 0.438767932189} 7 O2 9 0.0 1
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8 {} {0.148043121861 0.272139854872 0.107880822189} 7 O5 12 0.0 1
8 {} {0.149812861861 0.280033464872 0.415268972189} 7 O6 13 0.0 1
8 {} {0.411799441861 0.493039984872 0.268171392189} 7 O7 14 0.0 1
8 {} {0.353395976736 0.442860922439 0.595455453496} 0 O8 15 0.0 1
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8 {} {0.15059373029 0.0755246017712 0.6368919916} 0 O14 21 0.0 1
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8 {} {0.895669310553 0.232022567894 0.65787684957} 0 O16 23 0.0 1
14 {} {0.122596711861 0.632648264872 0.382252132189} 7 Si8 24 0.0 1
14 {} {0.373353391861 0.625718254872 0.306940252189} 7 Si9 25 0.0 1
14 {} {0.316748725656 0.598801051737 0.614073766954} 0 Si10 26 0.0 1
14 {} {0.107257271861 0.897481954872 0.146861502189} 7 Si11 27 0.0 1
14 {} {0.0820285618607 0.877453484872 0.463842132189} 7 Si12 28 0.0 1
14 {} {0.353361301861 0.873213004872 0.228773022189} 7 Si13 29 0.0 1
14 {} {0.339268568375 0.84173336268 0.538573550522} 0 Si14 30 0.0 1
8 {} {0.0444176118607 0.523799194872 0.109994842189} 7 O17 31 0.0 1
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8 {} {0.93200024838 0.545130722607 0.677429594183} 0 O31 45 0.0 1
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14 {} {0.583780441861 0.926341214872 0.463504222189} 7 Si26 73 0.0 1
14 {} {0.850740491861 0.851769184872 0.226713772189} 7 Si27 74 0.0 1
14 {} {0.834181048042 0.856572727376 0.545371524258} 0 Si28 75 0.0 1
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14 {} {0.96398856788 0.389114866928 0.650488728763} 0 Si29 100 0.0 1
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14 {} {0.624704256401 0.484032866765 0.722156069591} 0 Si31 103 0.0 1
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@data
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