./iterations/neb0_image09_iter44.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471851787273 0.212147967693 0.494339820731} O1 1 1
14 {} {0.336156621851 0.216054737604 0.586162627897} Si1 2 1
14 {} {0.60271091746 0.298918604628 0.445003976682} Si2 3 1
8 {} {0.559646102268 0.451156208093 0.402076930856} O2 4 1
8 {} {0.329598058759 0.355590368516 0.674570578411} O3 5 1
14 {} {0.296527955231 0.516216529679 0.668821493476} Si3 6 1
14 {} {0.507499178521 0.599344250312 0.450630415171} Si4 7 1
1 {} {0.34118158156 0.103715567913 0.682678375937} H1 8 1
1 {} {0.217733749312 0.208670096604 0.496232742714} H2 9 1
1 {} {0.658413974784 0.231101474894 0.325475281664} H3 10 1
1 {} {0.702471189662 0.308107171144 0.555381826207} H4 11 1
1 {} {0.149445572406 0.537799428693 0.65722808675} H5 12 1
1 {} {0.349609324118 0.576320220189 0.79453376643} H6 13 1
1 {} {0.323674523552 0.878264930561 0.412258229004} H7 14 1
1 {} {0.479052341964 0.67619070258 0.327715120446} H8 15 1
1 {} {0.610278651965 0.664766630508 0.536485771111} H10 16 1
8 {} {0.366994101745 0.585667279449 0.538763839978} O 17 1
1 {} {0.307240530491 0.852485775383 0.482699113864} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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