iterations/neb0_image07_iter81.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@data
8 {} {0.470350609284 0.221024386388 0.48824847826} O1 1 1
14 {} {0.331589352677 0.22399822729 0.576607636288} Si1 2 1
14 {} {0.599220514288 0.312788755291 0.44425157579} Si2 3 1
8 {} {0.552519838957 0.464094527536 0.403260393699} O2 4 1
8 {} {0.328393295033 0.35357072828 0.678016463697} O3 5 1
14 {} {0.299146381479 0.515890549115 0.678200818202} Si3 6 1
14 {} {0.503875091344 0.6108169907 0.454383714842} Si4 7 1
1 {} {0.32656666334 0.101883711697 0.659844425947} H1 8 1
1 {} {0.217267715768 0.232157768608 0.482140919694} H2 9 1
1 {} {0.661237403179 0.256408014388 0.321772886135} H3 10 1
1 {} {0.692649747019 0.322962517905 0.560140566438} H4 11 1
1 {} {0.152226173107 0.540069519156 0.669501006735} H5 12 1
1 {} {0.354957938834 0.569756625186 0.805679573752} H6 13 1
1 {} {0.351821148843 0.818308121324 0.424082978909} H7 14 1
1 {} {0.481741154882 0.683373060865 0.327073485941} H8 15 1
1 {} {0.605100362746 0.681293921877 0.537541531047} H10 16 1
8 {} {0.369460622527 0.587538908697 0.547722943217} O 17 1
1 {} {0.311962112254 0.77658162984 0.472588549372} H14 18 1
@end
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	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
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	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
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@data
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@end
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	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
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@data
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14 6 0 0
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10 2 0 0
9 2 0 0
@end
@Columns Bond
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	Atom1	reference	Atom
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	CellOffset2	int	{{0 0 0}}
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@data
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9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
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	Criteria	string	{{}}
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end