./iterations/neb0_image05_iter192.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 {} {0.473025777282 0.240127382677 0.487663049003} O1 1 1
14 {} {0.326928193729 0.226386981108 0.563691818478} Si1 2 1
14 {} {0.600542427582 0.342890706166 0.466197314602} Si2 3 1
8 {} {0.552338003006 0.497297112508 0.492941125714} O2 4 1
8 {} {0.285602094326 0.363240762013 0.642679258372} O3 5 1
14 {} {0.248532786028 0.521400356422 0.664922667975} Si3 6 1
14 {} {0.559027898617 0.652378199707 0.440195737733} Si4 7 1
1 {} {0.339216991728 0.114985134298 0.662743811645} H1 8 1
1 {} {0.224596035628 0.197223149797 0.459791532599} H2 9 1
1 {} {0.645112091081 0.333091435648 0.324233908225} H3 10 1
1 {} {0.708837638844 0.311136077377 0.564657655707} H4 11 1
1 {} {0.134252975097 0.522057629576 0.758847734611} H5 12 1
1 {} {0.36909038245 0.59593509189 0.714269850722} H6 13 1
1 {} {0.46677677444 0.727370812692 0.531305907967} H7 14 1
1 {} {0.514781663072 0.667730751114 0.297432751201} H8 15 1
1 {} {0.699107957076 0.704930742305 0.448564623187} H10 16 1
8 {} {0.199571200497 0.594090279522 0.52236161029} O 17 1
1 {} {0.262745123013 0.660245362133 0.48855779336} 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