./iterations/neb0_image05_iter182.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.47368118872 0.238148704906 0.487024419722} O1 1 1
14 {} {0.328509847104 0.225912009909 0.56460684434} Si1 2 1
14 {} {0.598025650656 0.342559881354 0.46452216622} Si2 3 1
8 {} {0.545942846975 0.496246509606 0.489832247585} O2 4 1
8 {} {0.290695412783 0.36246675923 0.645007020695} O3 5 1
14 {} {0.252395371103 0.521245436822 0.664069107238} Si3 6 1
14 {} {0.557017201762 0.652358810993 0.438122449209} Si4 7 1
1 {} {0.339054066416 0.114418607179 0.663865322675} H1 8 1
1 {} {0.224782796409 0.200829533152 0.460230758422} H2 9 1
1 {} {0.645681752924 0.330667522646 0.323765734598} H3 10 1
1 {} {0.705417106769 0.313520641086 0.563963264921} H4 11 1
1 {} {0.134644226629 0.524213805625 0.753872608859} H5 12 1
1 {} {0.368567078885 0.594238137098 0.72150314823} H6 13 1
1 {} {0.460599099005 0.725653477218 0.525508599958} H7 14 1
1 {} {0.517148310536 0.66739354697 0.295113472019} H8 15 1
1 {} {0.694750818801 0.704846248946 0.454687883953} H10 16 1
8 {} {0.20990547411 0.590404694196 0.520228376398} O 17 1
1 {} {0.263267760958 0.667393619233 0.495134707354} 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