./iterations/neb0_image07_iter92.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470575676746 0.221200844031 0.48992739257} O1 1 1
14 {} {0.331283875792 0.223455529028 0.577706705407} Si1 2 1
14 {} {0.600118261883 0.312538374514 0.445070342444} Si2 3 1
8 {} {0.556236868996 0.464322691843 0.402885550619} O2 4 1
8 {} {0.326926497464 0.353251508669 0.679904209504} O3 5 1
14 {} {0.298378168614 0.515608243394 0.677897495109} Si3 6 1
14 {} {0.503815338593 0.61090989695 0.453173254522} Si4 7 1
1 {} {0.326845858846 0.100320873205 0.661820456286} H1 8 1
1 {} {0.215855285989 0.230944827305 0.482478472325} H2 9 1
1 {} {0.659800073493 0.255894181436 0.322129021889} H3 10 1
1 {} {0.693820049191 0.320952179802 0.560315256346} H4 11 1
1 {} {0.15219092452 0.541069950704 0.668075527559} H5 12 1
1 {} {0.354899715976 0.569236032623 0.804223645741} H6 13 1
1 {} {0.351999738867 0.821352321082 0.426438054044} H7 14 1
1 {} {0.483306142824 0.682715325184 0.324357022215} H8 15 1
1 {} {0.605825243198 0.683279411707 0.53566608399} H10 16 1
8 {} {0.369661501318 0.58616046097 0.547149271271} O 17 1
1 {} {0.308546905524 0.779305314602 0.471840182436} 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