iterations/neb0_image02_iter180.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 {} {0.463940178406 0.254080908947 0.490760892853} O1 1 1
14 {} {0.328347415989 0.239502939529 0.582069208254} Si1 2 1
14 {} {0.586058753385 0.34441566544 0.429796916381} Si2 3 1
8 {} {0.528840559593 0.486207326879 0.369787823917} O2 4 1
8 {} {0.318924162807 0.361187596201 0.692344516922} O3 5 1
14 {} {0.250672115219 0.507313350589 0.7263921094} Si3 6 1
14 {} {0.551508771328 0.649273531914 0.361725033906} Si4 7 1
1 {} {0.338018592723 0.110848304059 0.656338335224} H1 8 1
1 {} {0.20924223949 0.24162324421 0.491986066335} H2 9 1
1 {} {0.646591564293 0.266473954205 0.318647130581} H3 10 1
1 {} {0.684223753727 0.373417868833 0.538415864856} H4 11 1
1 {} {0.103628690078 0.491163613792 0.742059415001} H5 12 1
1 {} {0.317761630381 0.556740726623 0.850008317727} H6 13 1
1 {} {0.424346987083 0.71443650095 0.318550448081} H7 14 1
1 {} {0.660000074452 0.681058967053 0.264505595504} H8 15 1
1 {} {0.590205661276 0.702039450711 0.496618806398} H10 16 1
8 {} {0.267310611913 0.614790976778 0.602045981937} O 17 1
1 {} {0.340464342052 0.677942996331 0.59900569004} 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