iterations/neb0_image02_iter17.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468695719837 0.238147136352 0.474440595613} O1 1 1
14 {} {0.329000734042 0.246356538464 0.561862873453} Si1 2 1
14 {} {0.600301769029 0.329353352318 0.432184620067} Si2 3 1
8 {} {0.552660177019 0.475894115094 0.371827841611} O2 4 1
8 {} {0.332476508915 0.375619748005 0.659901664849} O3 5 1
14 {} {0.270282608121 0.516475892291 0.720832280963} Si3 6 1
14 {} {0.522108494888 0.639166195088 0.378176350109} Si4 7 1
1 {} {0.320636736194 0.122246954979 0.645333606289} H1 8 1
1 {} {0.213663405796 0.255164833783 0.466230547545} H2 9 1
1 {} {0.672340319723 0.246575785989 0.329246763668} H3 10 1
1 {} {0.687655293797 0.344121824284 0.554344595777} H4 11 1
1 {} {0.123966014856 0.495285331628 0.73625276902} H5 12 1
1 {} {0.342583851861 0.538677467647 0.85007161401} H6 13 1
1 {} {0.387052603178 0.697539085664 0.351972202139} H7 14 1
1 {} {0.602870465725 0.701736434326 0.272169640702} H8 15 1
1 {} {0.565132224012 0.685171149989 0.513266913943} H10 16 1
8 {} {0.284743264495 0.640910245827 0.60898899112} O 17 1
1 {} {0.333915950831 0.724075873721 0.603954117037} 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