iterations/neb0_image09_iter254.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472443373663 0.214034136746 0.494631326893} O1 1 1
14 {} {0.333314567226 0.214773748595 0.58162382731} Si1 2 1
14 {} {0.606726149578 0.295021142669 0.446049982212} Si2 3 1
8 {} {0.57050209557 0.450284808274 0.40711452952} O2 4 1
8 {} {0.322767243075 0.350379751676 0.674490914553} O3 5 1
14 {} {0.300600818411 0.513105570867 0.672139559627} Si3 6 1
14 {} {0.511904137675 0.597079444073 0.452487305645} Si4 7 1
1 {} {0.334071193897 0.0977279206564 0.672684432225} H1 8 1
1 {} {0.219156220262 0.210121570362 0.486138516689} H2 9 1
1 {} {0.658877169342 0.228488357142 0.324047322038} H3 10 1
1 {} {0.706346154117 0.293665813759 0.556941278209} H4 11 1
1 {} {0.155901633328 0.544567534167 0.659574248749} H5 12 1
1 {} {0.359253376721 0.566929806267 0.797736720928} H6 13 1
1 {} {0.314505754807 0.917172658666 0.434889430484} H7 14 1
1 {} {0.47564734164 0.672428601327 0.329803602892} H8 15 1
1 {} {0.615166716651 0.667366958041 0.533825655462} H10 16 1
8 {} {0.375091655215 0.580355128325 0.541655031841} O 17 1
1 {} {0.277810558391 0.859014976614 0.465223959616} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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