iterations/neb0_image05_iter203.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.473414357612 0.242826185936 0.488981155402} O1 1 1
14 {} {0.327421213693 0.22705009501 0.562575737641} Si1 2 1
14 {} {0.601493154399 0.34290303676 0.466857678808} Si2 3 1
8 {} {0.556949383519 0.498459255998 0.495832766185} O2 4 1
8 {} {0.282809766824 0.363235403063 0.640738975058} O3 5 1
14 {} {0.245994335213 0.52193992126 0.663823136203} Si3 6 1
14 {} {0.561376989267 0.65409556184 0.442063521002} Si4 7 1
1 {} {0.338363717462 0.116901529663 0.661320496426} H1 8 1
1 {} {0.225689868028 0.193657647329 0.459687955722} H2 9 1
1 {} {0.645438987848 0.333720777425 0.32510086479} H3 10 1
1 {} {0.70953004694 0.308083779007 0.563351945271} H4 11 1
1 {} {0.134196328915 0.522593282688 0.761710299869} H5 12 1
1 {} {0.368244151431 0.595782529282 0.708590317391} H6 13 1
1 {} {0.473794100177 0.732460182458 0.534971985182} H7 14 1
1 {} {0.510435497382 0.664718711584 0.301983310314} H8 15 1
1 {} {0.70093120386 0.705383074545 0.444840647114} H10 16 1
8 {} {0.193791902978 0.596203599294 0.524858942308} O 17 1
1 {} {0.260211003973 0.652503409878 0.483768429142} 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