./iterations/neb0_image01_iter18.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467791597337 0.242824416629 0.471504341239} O1 1 1
14 {} {0.327767554976 0.250386381749 0.557258164878} Si1 2 1
14 {} {0.601475495038 0.330970461221 0.431143028874} Si2 3 1
8 {} {0.557927149111 0.475436107226 0.366568897397} O2 4 1
8 {} {0.332264148834 0.378590515993 0.658554110803} O3 5 1
14 {} {0.267149972834 0.513907664476 0.72703957592} Si3 6 1
14 {} {0.528035677108 0.638152369739 0.37162675231} Si4 7 1
1 {} {0.31704518437 0.12577061574 0.638624226576} H1 8 1
1 {} {0.213617531989 0.263290786307 0.461674322894} H2 9 1
1 {} {0.674769049544 0.249179000697 0.329916477792} H3 10 1
1 {} {0.685049963874 0.349974583871 0.554201950681} H4 11 1
1 {} {0.12195174088 0.48922139224 0.74701843742} H5 12 1
1 {} {0.341891283859 0.532496254212 0.855702168297} H6 13 1
1 {} {0.387498675498 0.682479152651 0.338243575108} H7 14 1
1 {} {0.61325227604 0.704421513374 0.271174750902} H8 15 1
1 {} {0.559300193416 0.688694714661 0.508139679584} H10 16 1
8 {} {0.270877117536 0.644825276059 0.627026823811} O 17 1
1 {} {0.342421522263 0.711896743677 0.615640705942} 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
12 5 0 0
1 0 0 0
2 0 0 0
16 5 0 0
4 1 0 0
3 2 0 0
17 16 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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