./iterations/neb0_image03_iter112.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.466542684636 0.238205706877 0.485497227559} O1 1 1
14 {} {0.328782218133 0.23582782772 0.5749808444} Si1 2 1
14 {} {0.586854668576 0.338160847164 0.434298656061} Si2 3 1
8 {} {0.526269070397 0.481649201707 0.385162237426} O2 4 1
8 {} {0.323661313041 0.363510921028 0.677827973754} O3 5 1
14 {} {0.26992892271 0.514022592981 0.713665419465} Si3 6 1
14 {} {0.537041066338 0.646349218302 0.380584883776} Si4 7 1
1 {} {0.330176862185 0.11105642338 0.656146946533} H1 8 1
1 {} {0.21149436939 0.239196217264 0.482969196625} H2 9 1
1 {} {0.6514204585 0.271000396809 0.318479778367} H3 10 1
1 {} {0.683451308488 0.358358092202 0.546742730175} H4 11 1
1 {} {0.121367979131 0.515101744741 0.722985333138} H5 12 1
1 {} {0.333119073313 0.555567295145 0.841631833037} H6 13 1
1 {} {0.404431081356 0.707469810035 0.3558709806} H7 14 1
1 {} {0.626938461285 0.683197716188 0.267562466928} H8 15 1
1 {} {0.593569598814 0.698842308476 0.508088709136} H10 16 1
8 {} {0.319761205445 0.610396783339 0.589285765461} O 17 1
1 {} {0.295275786627 0.704604872943 0.589276982871} 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