./iterations/neb0_image02_iter216.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 {} {0.461346487294 0.258052593118 0.490834152947} O1 1 1
14 {} {0.327713023686 0.239636036448 0.583772325226} Si1 2 1
14 {} {0.584486974018 0.346526540409 0.429119877096} Si2 3 1
8 {} {0.52943246809 0.488605914916 0.368330444633} O2 4 1
8 {} {0.315980635548 0.358935698655 0.695685521544} O3 5 1
14 {} {0.248083029164 0.505488587419 0.728574041104} Si3 6 1
14 {} {0.556244165881 0.650937803486 0.359650767752} Si4 7 1
1 {} {0.340764634051 0.110252200288 0.655751937031} H1 8 1
1 {} {0.208380080545 0.241437074453 0.494611161134} H2 9 1
1 {} {0.644238177724 0.267647571663 0.318539580934} H3 10 1
1 {} {0.683464117823 0.375923129736 0.536659233232} H4 11 1
1 {} {0.101414798591 0.489703324552 0.744323561199} H5 12 1
1 {} {0.314908828556 0.554369952318 0.852306897636} H6 13 1
1 {} {0.429992985528 0.716105384778 0.315268997279} H7 14 1
1 {} {0.665583781079 0.681216118859 0.262882574143} H8 15 1
1 {} {0.592971472666 0.704515663436 0.494720275386} H10 16 1
8 {} {0.264904193376 0.611733994832 0.602845689422} O 17 1
1 {} {0.340176323791 0.671430412459 0.597181027764} 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