iterations/neb0_image03_iter74.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 {} {0.467960083283 0.233049802653 0.481535821345} O1 1 1
14 {} {0.330305749992 0.237396022653 0.571118861902} Si1 2 1
14 {} {0.589896592151 0.332985427732 0.433677713839} Si2 3 1
8 {} {0.528703802524 0.477216753938 0.387541788547} O2 4 1
8 {} {0.326826037572 0.369124027999 0.668752884088} O3 5 1
14 {} {0.272186935116 0.517859155495 0.708959013293} Si3 6 1
14 {} {0.52978945885 0.642228173131 0.387966466363} Si4 7 1
1 {} {0.327979626208 0.117785714442 0.659327074499} H1 8 1
1 {} {0.213694421018 0.239724131431 0.47909121393} H2 9 1
1 {} {0.657576635252 0.268721731487 0.317793224904} H3 10 1
1 {} {0.682348499015 0.352952814436 0.548692172905} H4 11 1
1 {} {0.123769553674 0.513911761366 0.721296020528} H5 12 1
1 {} {0.337152663027 0.560032397589 0.836431205067} H6 13 1
1 {} {0.392761195178 0.696644581661 0.368240406858} H7 14 1
1 {} {0.6122529274 0.688674033532 0.272633888212} H8 15 1
1 {} {0.593638758596 0.693067044016 0.513181379919} H10 16 1
8 {} {0.316379224671 0.617393349021 0.584675090254} O 17 1
1 {} {0.306863948047 0.713751031633 0.590143780217} 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