./iterations/neb0_image06_iter26.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469462977256 0.226529623572 0.481565223638} O1 1 1
14 {} {0.331471932406 0.233395864624 0.573549035418} Si1 2 1
14 {} {0.598512688791 0.317445762327 0.43873745918} Si2 3 1
8 {} {0.546485872522 0.470198343428 0.393111599573} O2 4 1
8 {} {0.332358345585 0.365322049101 0.667047178502} O3 5 1
14 {} {0.287634760315 0.523933128269 0.687974488177} Si3 6 1
14 {} {0.500884997596 0.620241874532 0.438155009223} Si4 7 1
1 {} {0.329799938411 0.111543724832 0.660396981329} H1 8 1
1 {} {0.215456017277 0.234714145483 0.47843025709} H2 9 1
1 {} {0.666627717125 0.241672802466 0.327320780553} H3 10 1
1 {} {0.694080643139 0.329959352896 0.554193091735} H4 11 1
1 {} {0.137792879443 0.516765669278 0.704657658975} H5 12 1
1 {} {0.339751247981 0.555224363942 0.823212121108} H6 13 1
1 {} {0.349590337092 0.792167416258 0.423287858798} H7 14 1
1 {} {0.530573875749 0.685074872313 0.298077869701} H8 15 1
1 {} {0.590944167908 0.680892584287 0.53395608481} H10 16 1
8 {} {0.354125781396 0.6104379877 0.559173615176} O 17 1
1 {} {0.334531964131 0.756998387857 0.488211678181} 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