./iterations/neb0_image04_iter47.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 {} {0.468755760781 0.228342190723 0.482146466927} O1 1 1
14 {} {0.33256210682 0.235654765066 0.571300285806} Si1 2 1
14 {} {0.589344230264 0.331099886447 0.438476164871} Si2 3 1
8 {} {0.522207944666 0.475762795033 0.399621019364} O2 4 1
8 {} {0.332903161638 0.371063250778 0.661773195698} O3 5 1
14 {} {0.276926697031 0.519805995581 0.701683645579} Si3 6 1
14 {} {0.521321257485 0.643201224533 0.404915862446} Si4 7 1
1 {} {0.33137271909 0.119675533013 0.664551469049} H1 8 1
1 {} {0.213526481878 0.233039789837 0.4810150701} H2 9 1
1 {} {0.654820293772 0.265249102268 0.324524028293} H3 10 1
1 {} {0.687010148944 0.342588170286 0.548768478587} H4 11 1
1 {} {0.128599533542 0.526280290678 0.703345617267} H5 12 1
1 {} {0.339604325197 0.564188199376 0.827774967176} H6 13 1
1 {} {0.395026154412 0.724291614537 0.401107563109} H7 14 1
1 {} {0.574481626443 0.686964842085 0.272011516508} H8 15 1
1 {} {0.594630004666 0.689945851844 0.525681307905} H10 16 1
8 {} {0.336118666834 0.612844953047 0.576808338998} O 17 1
1 {} {0.310875015829 0.702519512857 0.545553014625} 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