./iterations/neb0_image01_iter8.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.46768877226 0.244598885032 0.47135421402} O1 1 1
14 {} {0.327222781198 0.250614191376 0.555803795293} Si1 2 1
14 {} {0.602608609585 0.328430624833 0.432160916588} Si2 3 1
8 {} {0.562892469563 0.475103788322 0.36511114706} O2 4 1
8 {} {0.331356085901 0.379202996004 0.658107028823} O3 5 1
14 {} {0.266848202726 0.512964222166 0.728899130114} Si3 6 1
14 {} {0.523918006284 0.636294514465 0.370113365634} Si4 7 1
1 {} {0.316340908066 0.127349830292 0.637502790654} H1 8 1
1 {} {0.213797193662 0.265289280104 0.460953652547} H2 9 1
1 {} {0.675592554483 0.2488783465 0.330049346711} H3 10 1
1 {} {0.684774409746 0.350631002386 0.554600047969} H4 11 1
1 {} {0.120727458582 0.487212627932 0.748771911156} H5 12 1
1 {} {0.341550859912 0.530472725434 0.856168665322} H6 13 1
1 {} {0.388286189099 0.68527381146 0.33404875443} H7 14 1
1 {} {0.613084699424 0.704388362208 0.272288325391} H8 15 1
1 {} {0.559213738919 0.68993384185 0.506414502555} H10 16 1
8 {} {0.271709073349 0.642501504825 0.633428221375} O 17 1
1 {} {0.342474123942 0.713377400122 0.615282180727} 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
12 5 0 0
1 0 0 0
2 0 0 0
16 5 0 0
4 1 0 0
3 2 0 0
17 16 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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