iterations/neb0_image02_iter206.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 {} {0.461880765499 0.25738770161 0.491142589174} O1 1 1
14 {} {0.327931732933 0.239564123027 0.583799383197} Si1 2 1
14 {} {0.584490292451 0.346167915554 0.429441341918} Si2 3 1
8 {} {0.529040567079 0.488270647823 0.368520124684} O2 4 1
8 {} {0.316278015535 0.359348781749 0.695495700361} O3 5 1
14 {} {0.248427055349 0.505778333031 0.728211676172} Si3 6 1
14 {} {0.555573460493 0.650537382767 0.359793266369} Si4 7 1
1 {} {0.340405234968 0.110245538056 0.655940039291} H1 8 1
1 {} {0.208776584258 0.241283912606 0.494658541324} H2 9 1
1 {} {0.644093752874 0.267831835918 0.318675483396} H3 10 1
1 {} {0.683566115191 0.375783664698 0.536625114419} H4 11 1
1 {} {0.10171294851 0.48995548791 0.743775380733} H5 12 1
1 {} {0.315026750361 0.55488360342 0.851847169164} H6 13 1
1 {} {0.429629360266 0.716409973582 0.315210700644} H7 14 1
1 {} {0.665169099897 0.680852177382 0.262932965011} H8 15 1
1 {} {0.592416312818 0.704144142634 0.494997084297} H10 16 1
8 {} {0.265360344195 0.611556616761 0.602623467201} O 17 1
1 {} {0.34030776458 0.672516139932 0.59736806378} 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