iterations/neb0_image06_iter257.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.473247091465 0.240503334569 0.492527734473} O1 1 1
14 {} {0.326902121725 0.217794561492 0.563062255085} Si1 2 1
14 {} {0.60801093782 0.329469082938 0.466223060642} Si2 3 1
8 {} {0.577887389131 0.485416942199 0.502735943531} O2 4 1
8 {} {0.277553466007 0.353926492033 0.64052156075} O3 5 1
14 {} {0.280858789816 0.516365623582 0.652999436983} Si3 6 1
14 {} {0.49087226421 0.615003678358 0.452321843026} Si4 7 1
1 {} {0.338159561357 0.111239351586 0.666355734815} H1 8 1
1 {} {0.229864553823 0.182869404603 0.454987258313} H2 9 1
1 {} {0.645603893773 0.322534926116 0.322531264912} H3 10 1
1 {} {0.71503596262 0.281648561789 0.555712449063} H4 11 1
1 {} {0.146744813347 0.551970562247 0.70586554241} H5 12 1
1 {} {0.383096384257 0.570856544327 0.746008013958} H6 13 1
1 {} {0.390556452628 0.802546773782 0.517236290651} H7 14 1
1 {} {0.474989399283 0.628349836242 0.305774077724} H8 15 1
1 {} {0.594749680127 0.72084049825 0.486510375999} H10 16 1
8 {} {0.328945312487 0.5790722375 0.506120467437} O 17 1
1 {} {0.327007930175 0.762109624722 0.49356493652} 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