iterations/neb0_image07_iter159.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 {} {0.471008872492 0.24159309228 0.492200441055} O1 1 1
14 {} {0.332093258476 0.221783275801 0.577856606126} Si1 2 1
14 {} {0.615880774223 0.306767705808 0.451552425566} Si2 3 1
8 {} {0.599798303828 0.467137958884 0.419145473313} O2 4 1
8 {} {0.30677676445 0.348027960733 0.681790634573} O3 5 1
14 {} {0.291368685411 0.510590504382 0.656459230291} Si3 6 1
14 {} {0.495950748776 0.594989966341 0.439985824859} Si4 7 1
1 {} {0.341303333288 0.10026869875 0.661242000637} H1 8 1
1 {} {0.22153772996 0.214604535374 0.47914331473} H2 9 1
1 {} {0.664188811574 0.23545092059 0.329679419085} H3 10 1
1 {} {0.712772243443 0.281613640357 0.563860226155} H4 11 1
1 {} {0.14608096611 0.548679669493 0.65817108875} H5 12 1
1 {} {0.370575449508 0.586862132 0.758827170955} H6 13 1
1 {} {0.349340139453 0.89054966106 0.489887535084} H7 14 1
1 {} {0.451733943976 0.656186700959 0.311507104307} H8 15 1
1 {} {0.567474523682 0.690878431128 0.52676801028} H10 16 1
8 {} {0.354362555567 0.545673258756 0.508145755803} O 17 1
1 {} {0.317838885829 0.83085970507 0.524835579206} 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