./iterations/neb0_image07_iter274.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 {} {0.480666445438 0.20660491227 0.503181171145} O1 1 1
14 {} {0.338849427174 0.210083063267 0.585848398635} Si1 2 1
14 {} {0.612240663461 0.293389333615 0.454938548225} Si2 3 1
8 {} {0.577410471515 0.450825403483 0.431352059246} O2 4 1
8 {} {0.314105384138 0.355552324104 0.661010216021} O3 5 1
14 {} {0.289542081094 0.516723979283 0.646837756869} Si3 6 1
14 {} {0.496777836144 0.593465269936 0.430785693648} Si4 7 1
1 {} {0.341869518567 0.108287194479 0.694625772963} H1 8 1
1 {} {0.230228406519 0.185350190687 0.486961478984} H2 9 1
1 {} {0.662252261696 0.238672064953 0.326430459359} H3 10 1
1 {} {0.714162690881 0.281048437228 0.561903187596} H4 11 1
1 {} {0.142797631423 0.541018169686 0.649379987664} H5 12 1
1 {} {0.360055109061 0.58495751038 0.759267546269} H6 13 1
1 {} {0.338183890402 0.921926979664 0.493366888936} H7 14 1
1 {} {0.471225529839 0.635965427391 0.291056312955} H8 15 1
1 {} {0.581202710874 0.693399496169 0.502039629113} H10 16 1
8 {} {0.350314077175 0.576608519412 0.505096439166} O 17 1
1 {} {0.30820164271 0.878639587063 0.546976141835} 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