iterations/neb0_image07_iter247.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 {} {0.476377627791 0.22142396896 0.499222572567} O1 1 1
14 {} {0.335710468605 0.213432221166 0.583682089065} Si1 2 1
14 {} {0.61489170256 0.296117538317 0.454676610265} Si2 3 1
8 {} {0.590234789068 0.455972549247 0.427891734857} O2 4 1
8 {} {0.31241009237 0.35080293263 0.670350981023} O3 5 1
14 {} {0.291126507253 0.51207168035 0.647358081496} Si3 6 1
14 {} {0.496929307674 0.59038596056 0.431157184052} Si4 7 1
1 {} {0.342245785797 0.101449917217 0.680006863436} H1 8 1
1 {} {0.224919976446 0.195307676913 0.486215931376} H2 9 1
1 {} {0.659777395015 0.232911474128 0.328262606796} H3 10 1
1 {} {0.717325625486 0.284613507184 0.562070063949} H4 11 1
1 {} {0.146854952369 0.546259600662 0.646622854282} H5 12 1
1 {} {0.36483941109 0.579829602395 0.757345360788} H6 13 1
1 {} {0.339021060901 0.928226607134 0.502432069518} H7 14 1
1 {} {0.471020191865 0.635162642468 0.291834970759} H8 15 1
1 {} {0.564655661048 0.694983569071 0.512551806878} H10 16 1
8 {} {0.350864280968 0.557580898931 0.500614647832} O 17 1
1 {} {0.310881016019 0.875985479522 0.54876130245} 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