./iterations/neb0_image04_iter122.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466399387095 0.236899419573 0.489752001229} O1 1 1
14 {} {0.327740384698 0.228423066054 0.576347720575} Si1 2 1
14 {} {0.584957942089 0.34069368555 0.44100067806} Si2 3 1
8 {} {0.522699063971 0.487660389155 0.40533107631} O2 4 1
8 {} {0.318300156032 0.355308102506 0.680366539497} O3 5 1
14 {} {0.277657104179 0.512224284812 0.701213886284} Si3 6 1
14 {} {0.530611617898 0.652641025279 0.401495673454} Si4 7 1
1 {} {0.330765640875 0.103040182354 0.655515754837} H1 8 1
1 {} {0.210411077302 0.231166500076 0.484893028607} H2 9 1
1 {} {0.644840036197 0.2806644982 0.318460797088} H3 10 1
1 {} {0.685277405064 0.353431850446 0.55139235957} H4 11 1
1 {} {0.130167734537 0.529349766185 0.697333977456} H5 12 1
1 {} {0.340837982524 0.558619212182 0.826646132051} H6 13 1
1 {} {0.406497139266 0.735558418393 0.39587673495} H7 14 1
1 {} {0.594029007542 0.684272119593 0.269614420087} H8 15 1
1 {} {0.612061448085 0.70235046832 0.517464416731} H10 16 1
8 {} {0.339531111127 0.602907437893 0.576527533816} O 17 1
1 {} {0.287301839109 0.677307500633 0.541825267349} 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