./iterations/neb0_image07_iter91.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 {} {0.470562747894 0.221151496228 0.489845954442} O1 1 1
14 {} {0.331315796905 0.223487846358 0.577637373443} Si1 2 1
14 {} {0.600106670621 0.312572662025 0.445026735934} Si2 3 1
8 {} {0.556063435719 0.464286440756 0.402877701426} O2 4 1
8 {} {0.326992761359 0.353304759058 0.679890359369} O3 5 1
14 {} {0.298422438458 0.515641358361 0.677905124844} Si3 6 1
14 {} {0.503805409478 0.610947011265 0.453199852844} Si4 7 1
1 {} {0.32682552663 0.100345857771 0.661753305409} H1 8 1
1 {} {0.215871739069 0.231012935415 0.48241212875} H2 9 1
1 {} {0.659860664819 0.255960335849 0.322102904963} H3 10 1
1 {} {0.693755639584 0.321050432583 0.560318125829} H4 11 1
1 {} {0.152204887481 0.541037697108 0.668140757897} H5 12 1
1 {} {0.354898421341 0.569239339047 0.804292563} H6 13 1
1 {} {0.352000829479 0.821151807201 0.426391713903} H7 14 1
1 {} {0.483225149751 0.682742068505 0.324500425472} H8 15 1
1 {} {0.605849534198 0.683209028106 0.535779192294} H10 16 1
8 {} {0.369631450355 0.586220414841 0.547217127955} O 17 1
1 {} {0.30869302441 0.779156476981 0.471766596739} 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