./iterations/neb0_image09_iter52.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 {} {0.472519122703 0.211770383584 0.494012378311} O1 1 1
14 {} {0.336028468797 0.216276215284 0.586485626233} Si1 2 1
14 {} {0.602881774355 0.298716809887 0.445085175485} Si2 3 1
8 {} {0.560043720486 0.451809783913 0.40213186807} O2 4 1
8 {} {0.329619729998 0.35502914454 0.67459149462} O3 5 1
14 {} {0.296215239097 0.516493454422 0.669410856791} Si3 6 1
14 {} {0.506606050437 0.598945039811 0.451184764174} Si4 7 1
1 {} {0.340817109915 0.103016147302 0.682566256232} H1 8 1
1 {} {0.217562731308 0.208773188154 0.495990039538} H2 9 1
1 {} {0.658454845631 0.231509134613 0.325106418974} H3 10 1
1 {} {0.702360008118 0.307808806807 0.555898995949} H4 11 1
1 {} {0.14963308951 0.538235542723 0.656140302844} H5 12 1
1 {} {0.350566481092 0.57680591175 0.794059384279} H6 13 1
1 {} {0.323590494377 0.877763998645 0.413020294381} H7 14 1
1 {} {0.477695545785 0.676979419513 0.328615016984} H8 15 1
1 {} {0.610151691546 0.664168836211 0.536260964501} H10 16 1
8 {} {0.367900994301 0.585982555591 0.538407446713} O 17 1
1 {} {0.307439066837 0.852433576109 0.482090709913} 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