./iterations/neb0_image04_iter91.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467139135933 0.232866617707 0.488132314034} O1 1 1
14 {} {0.329675491563 0.229193774045 0.57742322553} Si1 2 1
14 {} {0.583549007888 0.339112105878 0.439603551783} Si2 3 1
8 {} {0.516556820849 0.484484057704 0.403466940588} O2 4 1
8 {} {0.323008674124 0.35790867109 0.680162100436} O3 5 1
14 {} {0.279284410634 0.51458439063 0.700479612283} Si3 6 1
14 {} {0.527123405222 0.650237371156 0.401751789744} Si4 7 1
1 {} {0.329103963921 0.105459114178 0.659962225011} H1 8 1
1 {} {0.213437088778 0.233869640148 0.48516467397} H2 9 1
1 {} {0.647665083114 0.282876309832 0.317441825497} H3 10 1
1 {} {0.682283208241 0.350512490101 0.551290926242} H4 11 1
1 {} {0.131275885755 0.531518774784 0.694920462619} H5 12 1
1 {} {0.340257579321 0.560859103828 0.827587447902} H6 13 1
1 {} {0.400903587659 0.732423059148 0.392867514365} H7 14 1
1 {} {0.59235181709 0.681610068422 0.272474907709} H8 15 1
1 {} {0.604972045357 0.698431148633 0.518403403393} H10 16 1
8 {} {0.342979195685 0.60437183759 0.577813082869} O 17 1
1 {} {0.298519708975 0.68219941437 0.542111975904} 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