./iterations/neb0_image07_iter131.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 {} {0.469573005365 0.228056101818 0.491827571593} O1 1 1
14 {} {0.3298174551 0.222046300985 0.578123193262} Si1 2 1
14 {} {0.606242252518 0.30875156656 0.448291771856} Si2 3 1
8 {} {0.577305210343 0.466322635329 0.409974166213} O2 4 1
8 {} {0.320219695469 0.352079238974 0.679511884763} O3 5 1
14 {} {0.297123916479 0.514820255729 0.667584075038} Si3 6 1
14 {} {0.502739100187 0.607716908281 0.448142148099} Si4 7 1
1 {} {0.330859779781 0.0992601080935 0.660637606431} H1 8 1
1 {} {0.214886841803 0.222189142994 0.483623885028} H2 9 1
1 {} {0.658578856964 0.240292075674 0.326223085434} H3 10 1
1 {} {0.704726386525 0.308868762185 0.561691144934} H4 11 1
1 {} {0.150855932325 0.543014448523 0.661645623223} H5 12 1
1 {} {0.361608807592 0.578033117502 0.786558295764} H6 13 1
1 {} {0.348174525878 0.843909152817 0.447347546988} H7 14 1
1 {} {0.466697425403 0.67592050655 0.322406084725} H8 15 1
1 {} {0.591743659734 0.692470529262 0.53316524208} H10 16 1
8 {} {0.363591079785 0.573668887859 0.529420892151} O 17 1
1 {} {0.315342149035 0.795098152314 0.494883707614} 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