./iterations/neb0_image02_iter223.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 {} {0.460515462059 0.259586011752 0.490971613152} O1 1 1
14 {} {0.327342545778 0.239476067465 0.584505152708} Si1 2 1
14 {} {0.584079027915 0.347259997311 0.428890395035} Si2 3 1
8 {} {0.529670712085 0.489445507838 0.367735783145} O2 4 1
8 {} {0.314996526818 0.357852347856 0.697285110937} O3 5 1
14 {} {0.247062760811 0.504850589582 0.729460900215} Si3 6 1
14 {} {0.557383808599 0.651674161024 0.358723595286} Si4 7 1
1 {} {0.34182573692 0.109702227476 0.655850972021} H1 8 1
1 {} {0.207813666556 0.241122558915 0.495376782411} H2 9 1
1 {} {0.643475126096 0.26791531877 0.318252508431} H3 10 1
1 {} {0.683441476327 0.3767968093 0.536222608577} H4 11 1
1 {} {0.100351736442 0.489079118978 0.745049023239} H5 12 1
1 {} {0.313782055408 0.554157733795 0.853073162821} H6 13 1
1 {} {0.432122196722 0.717704259841 0.313623122111} H7 14 1
1 {} {0.667787084143 0.680902296741 0.262692995455} H8 15 1
1 {} {0.594457230235 0.705388407726 0.493615354212} H10 16 1
8 {} {0.26367853635 0.610462304716 0.603447076252} O 17 1
1 {} {0.340300509666 0.669142306339 0.596281887834} 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