./iterations/neb0_image01_iter142.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.466178997908 0.248821263088 0.475880852906} O1 1 1
14 {} {0.327511672106 0.250541536965 0.563928644647} Si1 2 1
14 {} {0.598191806946 0.334228074757 0.428134356312} Si2 3 1
8 {} {0.554953715758 0.476123760001 0.358025776121} O2 4 1
8 {} {0.327849996242 0.378706437604 0.666470968203} O3 5 1
14 {} {0.258476326921 0.51428116744 0.729377197434} Si3 6 1
14 {} {0.535427052652 0.639327116217 0.367210218619} Si4 7 1
1 {} {0.323554564857 0.12485166513 0.643910123013} H1 8 1
1 {} {0.211418670738 0.25992733827 0.470393629477} H2 9 1
1 {} {0.668767869051 0.252748503349 0.325843632373} H3 10 1
1 {} {0.683597345086 0.363614828383 0.547003165085} H4 11 1
1 {} {0.112605322845 0.492352528285 0.74988803362} H5 12 1
1 {} {0.332418040406 0.540554203629 0.855957678746} H6 13 1
1 {} {0.394964905374 0.672695629731 0.3301474862} H7 14 1
1 {} {0.631442705264 0.706328627354 0.27493485504} H8 15 1
1 {} {0.561435334759 0.688034780029 0.507095856243} H10 16 1
8 {} {0.267763404611 0.643783125314 0.626749186342} O 17 1
1 {} {0.353528291001 0.685597345318 0.610106295928} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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