./iterations/neb0_image03_iter282.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457898560246 0.263379033253 0.483054247555} O1 1 1
14 {} {0.324358741281 0.240982812262 0.575537340998} Si1 2 1
14 {} {0.589300261453 0.346267648504 0.431694641518} Si2 3 1
8 {} {0.544562835343 0.491863582039 0.372039392709} O2 4 1
8 {} {0.304845977441 0.361869804536 0.683572717808} O3 5 1
14 {} {0.250663394513 0.508995093514 0.733363708745} Si3 6 1
14 {} {0.564993018299 0.655921030313 0.370501839421} Si4 7 1
1 {} {0.341885012442 0.114240325273 0.650800196475} H1 8 1
1 {} {0.207198578243 0.236265901918 0.484396478621} H2 9 1
1 {} {0.650098903018 0.268842496294 0.320815558816} H3 10 1
1 {} {0.684030901716 0.364926399818 0.544976538744} H4 11 1
1 {} {0.103389733606 0.500028519299 0.750989060333} H5 12 1
1 {} {0.318769071992 0.546198750259 0.858939420699} H6 13 1
1 {} {0.430596217372 0.718542878947 0.359497134803} H7 14 1
1 {} {0.646499622299 0.694804421977 0.250058745037} H8 15 1
1 {} {0.631725769736 0.701006525737 0.496523979261} H10 16 1
8 {} {0.295632065795 0.629859631174 0.628452599326} O 17 1
1 {} {0.263637421322 0.628523147662 0.535843981728} 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