./iterations/neb0_image02_iter99.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467740113617 0.237710071059 0.478543650218} O1 1 1
14 {} {0.329341348816 0.243007442235 0.566792724079} Si1 2 1
14 {} {0.593930396277 0.332214555278 0.431989700278} Si2 3 1
8 {} {0.540191726868 0.47579867949 0.374500756975} O2 4 1
8 {} {0.330990580464 0.374429182188 0.665381480079} O3 5 1
14 {} {0.264594595502 0.516453832205 0.715265243767} Si3 6 1
14 {} {0.532139185111 0.64022343747 0.377710094382} Si4 7 1
1 {} {0.325153523868 0.120551409863 0.651254146265} H1 8 1
1 {} {0.213455253697 0.248794764536 0.473257418636} H2 9 1
1 {} {0.663968595226 0.260955254002 0.322278611408} H3 10 1
1 {} {0.683778735302 0.354835714917 0.548786615967} H4 11 1
1 {} {0.118741824841 0.496044252401 0.737544220208} H5 12 1
1 {} {0.337515939131 0.558547601279 0.838270656106} H6 13 1
1 {} {0.39187339803 0.684430779536 0.353936256239} H7 14 1
1 {} {0.620101798561 0.69630174701 0.271292264403} H8 15 1
1 {} {0.57793044328 0.691269978802 0.51084280777} H10 16 1
8 {} {0.278529784707 0.632944545769 0.599730329048} O 17 1
1 {} {0.340108864951 0.708004734407 0.613681026853} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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