./iterations/neb0_image02_iter233.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.459184894366 0.262227462507 0.490802010784} O1 1 1
14 {} {0.326628006601 0.239119205999 0.585121964733} Si1 2 1
14 {} {0.583458462288 0.348546938938 0.428311201366} Si2 3 1
8 {} {0.52995236956 0.491389228576 0.366759109553} O2 4 1
8 {} {0.313328108713 0.356458031218 0.699933487478} O3 5 1
14 {} {0.245395589819 0.503688659915 0.730640802564} Si3 6 1
14 {} {0.560025350257 0.653226261824 0.357402306075} Si4 7 1
1 {} {0.343618136523 0.108948610981 0.65588096242} H1 8 1
1 {} {0.206655696135 0.24031231075 0.496426378181} H2 9 1
1 {} {0.642591425794 0.267994398978 0.31771487628} H3 10 1
1 {} {0.683404287592 0.377610452739 0.535967804148} H4 11 1
1 {} {0.0984767513036 0.487871390647 0.746539446538} H5 12 1
1 {} {0.31225826693 0.554189285222 0.854288264024} H6 13 1
1 {} {0.435019990375 0.719737579453 0.311760990682} H7 14 1
1 {} {0.671039598526 0.680762536243 0.262304595903} H8 15 1
1 {} {0.597260959398 0.706632503353 0.491834273002} H10 16 1
8 {} {0.261349769694 0.609267764803 0.60423507587} O 17 1
1 {} {0.340438584654 0.664535455288 0.595134437483} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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