./iterations/neb0_image02_iter69.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 {} {0.46834887193 0.236519326008 0.476061359701} O1 1 1
14 {} {0.32967951661 0.24384496905 0.563928655568} Si1 2 1
14 {} {0.595645135133 0.33065347536 0.43165976403} Si2 3 1
8 {} {0.543091859688 0.474642468347 0.374484288324} O2 4 1
8 {} {0.331048798485 0.375553934653 0.661879492963} O3 5 1
14 {} {0.266731210514 0.517260467297 0.714670678858} Si3 6 1
14 {} {0.529368988849 0.638694215674 0.38022400363} Si4 7 1
1 {} {0.323200246971 0.122634627229 0.649616127729} H1 8 1
1 {} {0.213324437708 0.251698475045 0.471543005633} H2 9 1
1 {} {0.666311508127 0.260252197559 0.321686334336} H3 10 1
1 {} {0.682659842175 0.354504738687 0.550312335641} H4 11 1
1 {} {0.121317181984 0.496583000138 0.737016062824} H5 12 1
1 {} {0.340092691501 0.556741810061 0.838466843915} H6 13 1
1 {} {0.387146249079 0.678118285614 0.35711288613} H7 14 1
1 {} {0.615312697094 0.697841849207 0.274172841225} H8 15 1
1 {} {0.576972903513 0.691122568822 0.512420546276} H10 16 1
8 {} {0.28060159913 0.634972550329 0.599751646722} O 17 1
1 {} {0.339232383633 0.710879012625 0.616051107095} 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