./iterations/neb0_image06_iter264.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 {} {0.471934805594 0.24490495477 0.491427089614} O1 1 1
14 {} {0.326441758935 0.219056440539 0.561741534401} Si1 2 1
14 {} {0.608746587718 0.331033003921 0.467557191889} Si2 3 1
8 {} {0.580309647555 0.486811778789 0.511536923196} O2 4 1
8 {} {0.270656912656 0.354096036314 0.636235042234} O3 5 1
14 {} {0.27916124507 0.517418201648 0.652931652418} Si3 6 1
14 {} {0.491538015303 0.614044909323 0.455239954075} Si4 7 1
1 {} {0.339523354237 0.113899283579 0.667111279302} H1 8 1
1 {} {0.232316939108 0.180292886499 0.452477626593} H2 9 1
1 {} {0.643850167654 0.329491926693 0.323921725475} H3 10 1
1 {} {0.717283474063 0.278452017451 0.554534670716} H4 11 1
1 {} {0.145207491478 0.555691125528 0.710176369322} H5 12 1
1 {} {0.383001174077 0.567806442103 0.748059675016} H6 13 1
1 {} {0.393559420417 0.798786669226 0.513737273473} H7 14 1
1 {} {0.474410426473 0.622680694266 0.30732899767} H8 15 1
1 {} {0.594427752607 0.722518300774 0.482455686448} H10 16 1
8 {} {0.3272168119 0.578398920921 0.506642735555} O 17 1
1 {} {0.33050004197 0.757134483173 0.48794285265} 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