iterations/neb0_image07_iter90.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470550391011 0.221098248543 0.489749880634} O1 1 1
14 {} {0.331342353905 0.223508218233 0.577567008669} Si1 2 1
14 {} {0.600072899354 0.312608895289 0.444975461672} Si2 3 1
8 {} {0.555853351005 0.464241782591 0.402885152956} O2 4 1
8 {} {0.327068477221 0.353348029831 0.6798630415} O3 5 1
14 {} {0.298491869705 0.5156710372 0.677906325516} Si3 6 1
14 {} {0.503819978501 0.610994006224 0.453226891096} Si4 7 1
1 {} {0.3267950338 0.100386721422 0.66164843906} H1 8 1
1 {} {0.21592082438 0.23109420067 0.482351674256} H2 9 1
1 {} {0.65994112661 0.256047957563 0.322051889203} H3 10 1
1 {} {0.69367855423 0.32116381042 0.560340718576} H4 11 1
1 {} {0.152213105301 0.541012392221 0.66818312377} H5 12 1
1 {} {0.354927710287 0.569268522757 0.804384334248} H6 13 1
1 {} {0.351998628778 0.820922769497 0.426340162039} H7 14 1
1 {} {0.483085871632 0.682777911034 0.324711579724} H8 15 1
1 {} {0.605862090971 0.683100616128 0.535908517732} H10 16 1
8 {} {0.369592833308 0.586301679758 0.547301550736} O 17 1
1 {} {0.30887102742 0.778971167893 0.471662193231} 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