./iterations/neb0_image08_iter141.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.47087116577 0.224015938651 0.492003831931} O1 1 1
14 {} {0.330674535725 0.220556687326 0.576928519687} Si1 2 1
14 {} {0.607738562153 0.304019260241 0.447268164624} Si2 3 1
8 {} {0.577361693928 0.459883186309 0.405980429153} O2 4 1
8 {} {0.322153982965 0.349435420518 0.679673026794} O3 5 1
14 {} {0.301512834638 0.512241220545 0.674497037055} Si3 6 1
14 {} {0.509889195575 0.602538184564 0.452887289246} Si4 7 1
1 {} {0.327847345813 0.0960515485077 0.657431477095} H1 8 1
1 {} {0.216606311084 0.225228490165 0.48105317766} H2 9 1
1 {} {0.662217372799 0.233027420961 0.329104409271} H3 10 1
1 {} {0.70364075411 0.304059872115 0.560846310451} H4 11 1
1 {} {0.157183394831 0.544998825732 0.661068761689} H5 12 1
1 {} {0.361105231921 0.568262237167 0.798413126185} H6 13 1
1 {} {0.328051320038 0.87562748337 0.442649811256} H7 14 1
1 {} {0.467101785481 0.675200538114 0.331541503711} H8 15 1
1 {} {0.608004721914 0.680389085672 0.5336557393} H10 16 1
8 {} {0.376278201049 0.577019147105 0.543175477782} O 17 1
1 {} {0.28184779543 0.81996339628 0.46287978081} 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