./iterations/neb0_image07_iter279.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.481229258864 0.205435232126 0.503004349441} O1 1 1
14 {} {0.33915578567 0.210146519761 0.586584278385} Si1 2 1
14 {} {0.611854098344 0.292377540394 0.455329722659} Si2 3 1
8 {} {0.574349060176 0.450212265863 0.431937164981} O2 4 1
8 {} {0.315551353602 0.355444840536 0.65907379241} O3 5 1
14 {} {0.289598262329 0.517600722565 0.646995567872} Si3 6 1
14 {} {0.49663603327 0.594118792222 0.43174741375} Si4 7 1
1 {} {0.341241614595 0.109581451068 0.695604441719} H1 8 1
1 {} {0.231136102378 0.184563736736 0.487500138296} H2 9 1
1 {} {0.66175328449 0.241192139261 0.325977781128} H3 10 1
1 {} {0.713548481176 0.281830289067 0.562147817569} H4 11 1
1 {} {0.142838969226 0.54147471886 0.649988508489} H5 12 1
1 {} {0.358620062287 0.584315338605 0.760320534469} H6 13 1
1 {} {0.339160527127 0.9183993511 0.491023897341} H7 14 1
1 {} {0.470869113413 0.636383451722 0.291229579144} H8 15 1
1 {} {0.584517538365 0.692902161719 0.501437941091} H10 16 1
8 {} {0.350876183519 0.579977318729 0.507211853949} O 17 1
1 {} {0.307150042214 0.876562009166 0.543942908449} 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