iterations/neb0_image07_iter51.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	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.470491604504 0.218084214314 0.482238591956} O1 1 1
14 {} {0.331803570758 0.224957094079 0.571691974648} Si1 2 1
14 {} {0.598790987779 0.312988782361 0.442723026865} Si2 3 1
8 {} {0.548959347713 0.463934977331 0.401185972676} O2 4 1
8 {} {0.33364005213 0.355164499134 0.673398553013} O3 5 1
14 {} {0.29738539115 0.515579781342 0.680424810799} Si3 6 1
14 {} {0.501175253697 0.610768595413 0.455003595136} Si4 7 1
1 {} {0.328424382346 0.106184406057 0.659852449775} H1 8 1
1 {} {0.214748073022 0.234085250509 0.479038319784} H2 9 1
1 {} {0.663380684844 0.251291532741 0.324105936405} H3 10 1
1 {} {0.693839519133 0.329605515124 0.557129426747} H4 11 1
1 {} {0.148615225919 0.535922175676 0.677434038471} H5 12 1
1 {} {0.352685225031 0.571064084712 0.808074920673} H6 13 1
1 {} {0.345376547605 0.810765215551 0.41791592571} H7 14 1
1 {} {0.486393393554 0.683831203508 0.326940708686} H8 15 1
1 {} {0.600862478706 0.680178672342 0.54151811772} H10 16 1
8 {} {0.365864029657 0.590071808043 0.549749868832} O 17 1
1 {} {0.327650384941 0.778040151983 0.482631734128} H14 18 1
@end
@Columns Cell
	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}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	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}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
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
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end