iterations/neb0_image06_iter47.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 {} {0.469683129799 0.222390644965 0.482560776077} O1 1 1
14 {} {0.331956784118 0.228773506743 0.57075010233} Si1 2 1
14 {} {0.594173027259 0.321267587771 0.441837568131} Si2 3 1
8 {} {0.53758344556 0.468353460562 0.404879781689} O2 4 1
8 {} {0.333662345972 0.359072350211 0.667232609747} O3 5 1
14 {} {0.294177518472 0.518178809952 0.684420684615} Si3 6 1
14 {} {0.498975154714 0.619899243595 0.451055510227} Si4 7 1
1 {} {0.329610750523 0.112637900726 0.661081644799} H1 8 1
1 {} {0.214621238675 0.234267339249 0.480161988845} H2 9 1
1 {} {0.659806495201 0.256917431307 0.325837934422} H3 10 1
1 {} {0.691172951946 0.333850092254 0.553203370788} H4 11 1
1 {} {0.144482729365 0.534649416724 0.685720338306} H5 12 1
1 {} {0.346291569812 0.56967925185 0.814382643393} H6 13 1
1 {} {0.363118167349 0.78682947459 0.424641817178} H7 14 1
1 {} {0.50738756632 0.683078863553 0.312390507451} H8 15 1
1 {} {0.597348920642 0.687074187364 0.537653980445} H10 16 1
8 {} {0.365678807794 0.593524855286 0.556032433454} O 17 1
1 {} {0.330355520004 0.742073537107 0.477214291454} 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