./iterations/neb0_image05_iter159.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474890579701 0.231071508207 0.485527891762} O1 1 1
14 {} {0.330361495946 0.226944739288 0.565883586082} Si1 2 1
14 {} {0.595138055345 0.341945783752 0.459524826846} Si2 3 1
8 {} {0.535163715131 0.495102401213 0.476647011974} O2 4 1
8 {} {0.302271808885 0.363552380363 0.653199567649} O3 5 1
14 {} {0.259201799737 0.52081493718 0.665351717123} Si3 6 1
14 {} {0.547916997484 0.654249299117 0.435655130229} Si4 7 1
1 {} {0.336416139508 0.114728282227 0.662266626096} H1 8 1
1 {} {0.225388527563 0.20408377214 0.46324058809} H2 9 1
1 {} {0.649260051515 0.317425755871 0.320534171664} H3 10 1
1 {} {0.701747682601 0.314821461183 0.562886081744} H4 11 1
1 {} {0.13159618167 0.529212340045 0.742569385135} H5 12 1
1 {} {0.369040796007 0.588466600601 0.741011089217} H6 13 1
1 {} {0.449394742387 0.740616920824 0.510159544903} H7 14 1
1 {} {0.516197614146 0.661373055433 0.290809447574} H8 15 1
1 {} {0.681863186518 0.70590325989 0.476666104315} H10 16 1
8 {} {0.236885646335 0.584713073248 0.513684374509} O 17 1
1 {} {0.267350998187 0.67749235582 0.505440971859} 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