./iterations/neb0_image05_iter37.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 {} {0.469778613764 0.226777385573 0.483566453494} O1 1 1
14 {} {0.332682347681 0.23489285643 0.573266391455} Si1 2 1
14 {} {0.592482119431 0.325666260751 0.439629312772} Si2 3 1
8 {} {0.532503126504 0.476753322403 0.404085057007} O2 4 1
8 {} {0.333974293969 0.371775636367 0.657434548579} O3 5 1
14 {} {0.282832056558 0.522395938135 0.692534678885} Si3 6 1
14 {} {0.502761325145 0.640350377526 0.425097650513} Si4 7 1
1 {} {0.330827287049 0.116619334894 0.66265772461} H1 8 1
1 {} {0.216114018544 0.232539810306 0.482290917247} H2 9 1
1 {} {0.660614431552 0.251424381232 0.328532536077} H3 10 1
1 {} {0.691212421403 0.331883081057 0.550777788709} H4 11 1
1 {} {0.136223768423 0.526234121727 0.698251923797} H5 12 1
1 {} {0.34043344517 0.56359346021 0.820254612234} H6 13 1
1 {} {0.378249979702 0.766391334495 0.425797598496} H7 14 1
1 {} {0.53912909206 0.684740998613 0.284400723655} H8 15 1
1 {} {0.593264230373 0.683485325458 0.534184301699} H10 16 1
8 {} {0.346698632273 0.61523893916 0.568060646125} O 17 1
1 {} {0.330304937531 0.70175539488 0.500235113156} 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