./iterations/neb0_image03_iter109.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.466445745621 0.237965817736 0.485607580616} O1 1 1
14 {} {0.328855303535 0.235687244675 0.574776872241} Si1 2 1
14 {} {0.586764216595 0.337956830896 0.434470354113} Si2 3 1
8 {} {0.526299448723 0.482101185617 0.385043919718} O2 4 1
8 {} {0.324078017415 0.363539531105 0.677587044632} O3 5 1
14 {} {0.269905131752 0.514200817027 0.713604127132} Si3 6 1
14 {} {0.536793817568 0.64601324867 0.380499837656} Si4 7 1
1 {} {0.330141759281 0.111168754325 0.656175618103} H1 8 1
1 {} {0.211610841604 0.239170063676 0.482786870757} H2 9 1
1 {} {0.651536791349 0.271096118317 0.318612844931} H3 10 1
1 {} {0.683608319273 0.35797660705 0.546866280994} H4 11 1
1 {} {0.121256090138 0.515062446128 0.723051023894} H5 12 1
1 {} {0.333287790369 0.55569943119 0.841444978452} H6 13 1
1 {} {0.404520296264 0.707433460327 0.35606205249} H7 14 1
1 {} {0.626506642636 0.683259317024 0.26770160679} H8 15 1
1 {} {0.593219202151 0.698605807628 0.508072172365} H10 16 1
8 {} {0.319590788282 0.610727491865 0.589297245406} O 17 1
1 {} {0.29566592563 0.704853800281 0.589397536753} 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
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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end