./iterations/neb0_image05_iter297.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 {} {0.467221555524 0.28460441238 0.494240818982} O1 1 1
14 {} {0.32461513747 0.237256625313 0.560438167273} Si1 2 1
14 {} {0.616727731149 0.349728383152 0.475793632513} Si2 3 1
8 {} {0.616411787442 0.505435158148 0.528490619995} O2 4 1
8 {} {0.242289164132 0.366378301805 0.618177957529} O3 5 1
14 {} {0.227807269981 0.527057741458 0.648317412382} Si3 6 1
14 {} {0.578669241919 0.654075702548 0.467699214583} Si4 7 1
1 {} {0.348701141676 0.137300478342 0.669849254383} H1 8 1
1 {} {0.244362240705 0.180275625499 0.450641384596} H2 9 1
1 {} {0.649360962282 0.347896328628 0.329093619942} H3 10 1
1 {} {0.715493416516 0.272277327146 0.556464510173} H4 11 1
1 {} {0.117571872584 0.556716555384 0.745007423047} H5 12 1
1 {} {0.360720423422 0.56554706675 0.700514385996} H6 13 1
1 {} {0.550775139899 0.745770215889 0.581806449845} H7 14 1
1 {} {0.458593948907 0.646442171694 0.378952447621} H8 15 1
1 {} {0.694560072151 0.702811580993 0.385326849371} H10 16 1
8 {} {0.189958873583 0.614534457584 0.514014934988} O 17 1
1 {} {0.20624610137 0.578410035845 0.426229185797} 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