./iterations/neb0_image05_iter284.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 {} {0.470627458015 0.278318742802 0.492715924507} O1 1 1
14 {} {0.326067468783 0.236568976779 0.557357660855} Si1 2 1
14 {} {0.615768448514 0.349110182638 0.474829279122} Si2 3 1
8 {} {0.610946528441 0.503446354518 0.528284336451} O2 4 1
8 {} {0.247838014072 0.36503099148 0.622140611685} O3 5 1
14 {} {0.229758330573 0.526583408246 0.649957577197} Si3 6 1
14 {} {0.580879167055 0.654155254214 0.465776323246} Si4 7 1
1 {} {0.344613586101 0.141359624042 0.669360326104} H1 8 1
1 {} {0.243342117056 0.177832804471 0.44701048066} H2 9 1
1 {} {0.646276959378 0.349813414352 0.329375337426} H3 10 1
1 {} {0.714736467398 0.27614089558 0.557934236344} H4 11 1
1 {} {0.12543191052 0.552003583832 0.750626318207} H5 12 1
1 {} {0.363873933847 0.568546167227 0.703915776861} H6 13 1
1 {} {0.545665142824 0.746629456791 0.57735848924} H7 14 1
1 {} {0.465981995514 0.647868680481 0.370953907151} H8 15 1
1 {} {0.698419224762 0.701469094829 0.389631289341} H10 16 1
8 {} {0.176426816242 0.610482918287 0.517307851934} O 17 1
1 {} {0.203432501589 0.587157606859 0.426522508966} 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