./iterations/neb0_image07_iter243.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.476111479454 0.222575847745 0.499305132386} O1 1 1
14 {} {0.335908804006 0.213763612609 0.583706321147} Si1 2 1
14 {} {0.615578670437 0.296458147172 0.454668314427} Si2 3 1
8 {} {0.591780861591 0.456476756662 0.428107807068} O2 4 1
8 {} {0.311555635794 0.350870011965 0.671189133242} O3 5 1
14 {} {0.291093283029 0.511972158067 0.646824920536} Si3 6 1
14 {} {0.497178892378 0.590074887357 0.430522552632} Si4 7 1
1 {} {0.342527810767 0.100737750288 0.679215780711} H1 8 1
1 {} {0.224786053877 0.195728993901 0.485740398683} H2 9 1
1 {} {0.659938562556 0.233094058725 0.328190387448} H3 10 1
1 {} {0.717255078206 0.283640006352 0.562298758169} H4 11 1
1 {} {0.147214483464 0.546960379667 0.646212354573} H5 12 1
1 {} {0.365506916161 0.579853631855 0.75614700612} H6 13 1
1 {} {0.339674416074 0.929284028095 0.504848955303} H7 14 1
1 {} {0.469862555969 0.634598228544 0.291937495974} H8 15 1
1 {} {0.563681472657 0.694911382859 0.513066236035} H10 16 1
8 {} {0.349866425355 0.555391561674 0.50071771968} O 17 1
1 {} {0.310564451583 0.876126381061 0.548358458359} 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