./iterations/neb0_image03_iter110.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 {} {0.46647494384 0.237918600064 0.485546497972} O1 1 1
14 {} {0.328858949109 0.23571160986 0.574770342671} Si1 2 1
14 {} {0.586786608459 0.337934986091 0.434435460125} Si2 3 1
8 {} {0.526284191915 0.48197868423 0.385107029206} O2 4 1
8 {} {0.324043127492 0.363629298932 0.677546532789} O3 5 1
14 {} {0.269941136361 0.5142355989 0.713514505027} Si3 6 1
14 {} {0.536768459112 0.646027398536 0.380591315518} Si4 7 1
1 {} {0.330116910479 0.11122949296 0.656226066354} H1 8 1
1 {} {0.211629238698 0.239167267766 0.482759691162} H2 9 1
1 {} {0.651596960064 0.271110412962 0.318549579238} H3 10 1
1 {} {0.683560007385 0.357976407966 0.546880082102} H4 11 1
1 {} {0.121294892608 0.515055260787 0.723031886545} H5 12 1
1 {} {0.333310504063 0.555760654035 0.841390490471} H6 13 1
1 {} {0.404363700722 0.707259612373 0.356171141083} H7 14 1
1 {} {0.626422794231 0.683302437817 0.267760028554} H8 15 1
1 {} {0.593310059911 0.698579055832 0.508120456265} H10 16 1
8 {} {0.319555653246 0.610672912372 0.589264060884} O 17 1
1 {} {0.29576799006 0.704968281892 0.589392801733} 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