./iterations/neb0_image05_iter80.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470284951734 0.224041102075 0.487287066023} O1 1 1
14 {} {0.332191151401 0.224569525524 0.575362050048} Si1 2 1
14 {} {0.589278510154 0.330674119902 0.443835128738} Si2 3 1
8 {} {0.52852508777 0.479562935587 0.419189772542} O2 4 1
8 {} {0.327613021529 0.357443002121 0.674995331978} O3 5 1
14 {} {0.288770944931 0.51557583956 0.683193012853} Si3 6 1
14 {} {0.503524342529 0.646386140185 0.428076221786} Si4 7 1
1 {} {0.326746263399 0.103868240252 0.662222750754} H1 8 1
1 {} {0.215338643901 0.232602308604 0.483394927959} H2 9 1
1 {} {0.652034138752 0.278477727315 0.319274711527} H3 10 1
1 {} {0.686006684648 0.336289436523 0.556291442161} H4 11 1
1 {} {0.141718170003 0.540829943226 0.675103887941} H5 12 1
1 {} {0.353898529878 0.573317659893 0.804705844919} H6 13 1
1 {} {0.395705355485 0.769045860355 0.434484038105} H7 14 1
1 {} {0.533778570445 0.67536373119 0.285796286524} H8 15 1
1 {} {0.598194315643 0.695771964474 0.530632007749} H10 16 1
8 {} {0.346389935085 0.596432217613 0.546346212411} O 17 1
1 {} {0.32008748518 0.692266187395 0.520867291864} 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