./iterations/neb0_image06_iter123.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470092294669 0.227410268203 0.489782488419} O1 1 1
14 {} {0.329840596899 0.224240093248 0.574769570631} Si1 2 1
14 {} {0.599973620525 0.319242871859 0.448728206463} Si2 3 1
8 {} {0.557799357222 0.472762331234 0.417355752388} O2 4 1
8 {} {0.322384424828 0.354024062609 0.675751951436} O3 5 1
14 {} {0.29292437589 0.515379036146 0.668620325617} Si3 6 1
14 {} {0.494549319698 0.619917005297 0.445561254611} Si4 7 1
1 {} {0.328967959392 0.101055374358 0.657862359016} H1 8 1
1 {} {0.214100027896 0.226148976635 0.480164672664} H2 9 1
1 {} {0.654586613501 0.263939385897 0.323078478861} H3 10 1
1 {} {0.698116792348 0.322274235776 0.560386441123} H4 11 1
1 {} {0.145656849825 0.537281207185 0.674888119232} H5 12 1
1 {} {0.361230619422 0.577877667496 0.785454059923} H6 13 1
1 {} {0.379138492496 0.801419989318 0.462947470423} H7 14 1
1 {} {0.488413593193 0.680029680403 0.30749353749} H8 15 1
1 {} {0.591503050846 0.698610030143 0.530677173382} H10 16 1
8 {} {0.351962250482 0.57667451279 0.527112089119} O 17 1
1 {} {0.328845852676 0.754231200238 0.500424037022} 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