./iterations/neb0_image02_iter58.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_image02

@Columns AsymmetricAtom
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	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 {} {0.128209070413 0.127878216638 0.385805960486} 7 Si1 1 0.0 1
14 {} {0.373878220413 0.121776766638 0.306941700486} 7 Si2 2 0.0 1
14 {} {0.301312346888 0.087333218174 0.608197862657} 0 Si3 3 0.0 1
14 {} {0.100588280413 0.395321686638 0.149466450486} 7 Si4 4 0.0 1
14 {} {0.0935841204135 0.379775786638 0.462357350486} 7 Si5 5 0.0 1
14 {} {0.351627540413 0.368663686638 0.228419640486} 7 Si6 6 0.0 1
14 {} {0.345452969347 0.344883513093 0.536224781725} 0 Si7 7 0.0 1
8 {} {0.0716309004135 0.0150350266382 0.103143590486} 7 O1 8 0.0 1
8 {} {0.0815454704135 0.0285537466382 0.438279890486} 7 O2 9 0.0 1
8 {} {0.301517090413 0.240574986638 0.268205930486} 7 O3 10 0.0 1
8 {} {0.298323640393 0.18570101856 0.551583137612} 0 O4 11 0.0 1
8 {} {0.154460790413 0.268494266638 0.107392780486} 7 O5 12 0.0 1
8 {} {0.156230530413 0.276387876638 0.414780930486} 7 O6 13 0.0 1
8 {} {0.418217110413 0.489394396638 0.267683350486} 7 O7 14 0.0 1
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8 {} {0.150254356594 0.0697989968892 0.637007896965} 0 O14 21 0.0 1
8 {} {0.0140602104135 0.144516436638 0.335923740486} 7 O15 22 0.0 1
8 {} {0.89594070963 0.230639318134 0.658802058951} 0 O16 23 0.0 1
14 {} {0.129014380413 0.629002676638 0.381764090486} 7 Si8 24 0.0 1
14 {} {0.379771060413 0.622072666638 0.306452210486} 7 Si9 25 0.0 1
14 {} {0.334199318382 0.589115558812 0.618978676164} 0 Si10 26 0.0 1
14 {} {0.113674940413 0.893836366638 0.146373460486} 7 Si11 27 0.0 1
14 {} {0.0884462304135 0.873807896638 0.463354090486} 7 Si12 28 0.0 1
14 {} {0.359778970413 0.869567416638 0.228284980486} 7 Si13 29 0.0 1
14 {} {0.347478386175 0.836801244763 0.53952239664} 0 Si14 30 0.0 1
8 {} {0.0508352804135 0.520153606638 0.109506800486} 7 O17 31 0.0 1
8 {} {0.0709466904135 0.526909556638 0.431064390486} 7 O18 32 0.0 1
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8 {} {0.921829516249 0.536179900037 0.679716711626} 0 O31 45 0.0 1
14 {} {0.624954360413 0.171013626638 0.386519890486} 7 Si15 46 0.0 1
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14 {} {0.876022650413 0.602443326638 0.304865390486} 7 Si23 70 0.0 1
14 {} {0.81988144323 0.654694025491 0.649401525184} 0 Si24 71 0.0 1
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14 {} {0.857158160413 0.848123596638 0.226225730486} 7 Si27 74 0.0 1
14 {} {0.842607592279 0.856089044841 0.544447216902} 0 Si28 75 0.0 1
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1 {} {0.103209170413 0.111891676638 0.107252070486} 7 H1 92 0.0 1
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1 {} {0.0959973704135 0.611930836638 0.109547030486} 7 H3 94 0.0 1
1 {} {0.210096160413 0.787957306638 0.0708501304864} 7 H4 95 0.0 1
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14 {} {0.966114231398 0.386336474358 0.651100162153} 0 Si29 100 0.0 1
14 {} {0.543167771054 0.213496291213 0.647491913675} 0 Si30 101 0.0 1
8 {} {0.5716845477 0.342644026993 0.689133147936} 0 O64 102 0.0 1
14 {} {0.57141293982 0.510510439938 0.693216957131} 0 Si31 103 0.0 1
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1 {} {0.150426741833 0.269370730631 0.675635360057} 0 H12 110 0.0 1
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1 {} {0.131428500693 0.609097468108 0.666091098702} 0 H13 112 0.0 1
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@data
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