./iterations/neb0_image05_iter222.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 {} {0.474321387975 0.25078135966 0.490989054048} O1 1 1
14 {} {0.326006174168 0.229389298582 0.559768815193} Si1 2 1
14 {} {0.605783533725 0.346289018798 0.470079181057} Si2 3 1
8 {} {0.569949695356 0.502684485286 0.508190751134} O2 4 1
8 {} {0.27268538336 0.365825876233 0.632438710353} O3 5 1
14 {} {0.236946416241 0.523313654222 0.661994198725} Si3 6 1
14 {} {0.571927350627 0.656157742004 0.448640260575} Si4 7 1
1 {} {0.338221315532 0.122091914641 0.66137711732} H1 8 1
1 {} {0.229437311522 0.183874649194 0.455428435128} H2 9 1
1 {} {0.646641835032 0.338250218266 0.326925857313} H3 10 1
1 {} {0.712582274331 0.297707379021 0.560423811184} H4 11 1
1 {} {0.136347081551 0.523806263856 0.772661244421} H5 12 1
1 {} {0.363704520107 0.594319626395 0.690825121332} H6 13 1
1 {} {0.495487968008 0.738711069101 0.548889398751} H7 14 1
1 {} {0.497964875611 0.657726782836 0.317299901416} H8 15 1
1 {} {0.712029471313 0.706993384155 0.427724924629} H10 16 1
8 {} {0.171720935851 0.602739391856 0.530281066045} O 17 1
1 {} {0.248328475527 0.631855921479 0.467120343419} 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