./iterations/neb0_image04_iter198.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.464999457185 0.254694597883 0.488599529524} O1 1 1
14 {} {0.325071069031 0.228862021878 0.57128035857} Si1 2 1
14 {} {0.592413416819 0.348568665936 0.444500253807} Si2 3 1
8 {} {0.546138244395 0.502814958552 0.418393307468} O2 4 1
8 {} {0.291485204372 0.349139562403 0.677387564728} O3 5 1
14 {} {0.251408367238 0.505383601706 0.704209917184} Si3 6 1
14 {} {0.568021459563 0.664381578327 0.398791327521} Si4 7 1
1 {} {0.341100848587 0.102904376931 0.648914263628} H1 8 1
1 {} {0.216568440115 0.217961776591 0.470655902391} H2 9 1
1 {} {0.64720352028 0.291597794987 0.317651773006} H3 10 1
1 {} {0.695227668778 0.345304515737 0.553665146116} H4 11 1
1 {} {0.107989071842 0.517028026747 0.745618944158} H5 12 1
1 {} {0.342670027221 0.556832481067 0.809856753485} H6 13 1
1 {} {0.437640157324 0.733092588073 0.422563055725} H7 14 1
1 {} {0.611877453081 0.690653879197 0.260015585404} H8 15 1
1 {} {0.671231681771 0.713166257078 0.495352076259} H10 16 1
8 {} {0.276864194769 0.586066622242 0.561591668469} O 17 1
1 {} {0.222175738356 0.664064562546 0.542010704746} 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