./iterations/neb0_image03_iter69.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468257023524 0.232586569482 0.480832288429} O1 1 1
14 {} {0.330539930585 0.237444344499 0.570027691417} Si1 2 1
14 {} {0.590526022097 0.332085957953 0.433892582847} Si2 3 1
8 {} {0.530150899903 0.476020687522 0.387391967452} O2 4 1
8 {} {0.328012876552 0.369504686284 0.667214821661} O3 5 1
14 {} {0.272302795094 0.518261435652 0.708731841278} Si3 6 1
14 {} {0.528146596103 0.64117136083 0.388876233237} Si4 7 1
1 {} {0.327982232451 0.118945501712 0.659674013403} H1 8 1
1 {} {0.213271845155 0.240031061095 0.478380320381} H2 9 1
1 {} {0.657785753025 0.26825891356 0.318237245819} H3 10 1
1 {} {0.682481498965 0.35272557215 0.548724118204} H4 11 1
1 {} {0.12365929817 0.514201266309 0.720947677146} H5 12 1
1 {} {0.337776142088 0.560587726771 0.835890309482} H6 13 1
1 {} {0.39139481012 0.69566745082 0.370117383304} H7 14 1
1 {} {0.610111727506 0.689308292018 0.273476857002} H8 15 1
1 {} {0.59346631836 0.692634048665 0.513984685876} H10 16 1
8 {} {0.316018934915 0.618324132399 0.584305894859} O 17 1
1 {} {0.308201408302 0.71475894604 0.590352074435} 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