./iterations/neb0_image07_iter179.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 {} {0.471558374462 0.239451510972 0.494227404201} O1 1 1
14 {} {0.332553445733 0.221700410287 0.579126365502} Si1 2 1
14 {} {0.61640790545 0.30334563952 0.451204008776} Si2 3 1
8 {} {0.599212134815 0.464138306349 0.419509871496} O2 4 1
8 {} {0.304277409926 0.348277099226 0.682137507524} O3 5 1
14 {} {0.290812746047 0.509795630265 0.654753247641} Si3 6 1
14 {} {0.495468230219 0.590375177447 0.437289619107} Si4 7 1
1 {} {0.345524776876 0.100253732421 0.662872682679} H1 8 1
1 {} {0.221953899734 0.212573202664 0.479200389119} H2 9 1
1 {} {0.664678706573 0.23645779416 0.327695542533} H3 10 1
1 {} {0.712505501655 0.283507755159 0.563153481456} H4 11 1
1 {} {0.147539597898 0.549152722874 0.656342875519} H5 12 1
1 {} {0.368926486803 0.583994289115 0.757482655243} H6 13 1
1 {} {0.346898963016 0.904286065269 0.497637895693} H7 14 1
1 {} {0.461494167813 0.645634789205 0.303711477661} H8 15 1
1 {} {0.559527353251 0.691362034138 0.526128404104} H10 16 1
8 {} {0.353335886062 0.543424461215 0.505183392221} O 17 1
1 {} {0.31741038228 0.844787192847 0.53340100006} 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