./iterations/neb0_image06_iter255.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.473431569771 0.240456417789 0.493901029139} O1 1 1
14 {} {0.326484895719 0.218019468802 0.563197711499} Si1 2 1
14 {} {0.607763049805 0.330200572761 0.466735083825} Si2 3 1
8 {} {0.57850455772 0.486627045414 0.503620265885} O2 4 1
8 {} {0.276541985719 0.35356591948 0.640589942396} O3 5 1
14 {} {0.281009782555 0.516496247 0.652751742948} Si3 6 1
14 {} {0.490777766447 0.615725839466 0.45189195355} Si4 7 1
1 {} {0.338382652398 0.111097413324 0.665957311412} H1 8 1
1 {} {0.229817035524 0.181726965094 0.454756135871} H2 9 1
1 {} {0.645283616288 0.323758010857 0.322734028879} H3 10 1
1 {} {0.715041383879 0.280319170759 0.555438782389} H4 11 1
1 {} {0.147295786996 0.551769319729 0.705680613893} H5 12 1
1 {} {0.383398345652 0.570644231971 0.7452923682} H6 13 1
1 {} {0.39003917378 0.803510970075 0.517746261525} H7 14 1
1 {} {0.475800407062 0.62671659871 0.304858560665} H8 15 1
1 {} {0.594819173822 0.721252990663 0.485884356424} H10 16 1
8 {} {0.328666461623 0.579075895703 0.505737536065} O 17 1
1 {} {0.32702836317 0.761554963283 0.494284572492} 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
1 0 0 0
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
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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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end