./iterations/neb0_image04_iter11.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.468929724149 0.229988976746 0.481851614684} O1 1 1
14 {} {0.331238367014 0.232130546538 0.567925488569} Si1 2 1
14 {} {0.602612585581 0.315922192993 0.437460431061} Si2 3 1
8 {} {0.556789191653 0.465773309197 0.381438184218} O2 4 1
8 {} {0.331229784714 0.37307174491 0.667515266951} O3 5 1
14 {} {0.277928865777 0.523633909779 0.699951728482} Si3 6 1
14 {} {0.511256327022 0.632378882951 0.400705212094} Si4 7 1
1 {} {0.328467873939 0.116118861109 0.659490091019} H1 8 1
1 {} {0.214823019654 0.238504448978 0.476566856212} H2 9 1
1 {} {0.668165014505 0.238861911253 0.327575552189} H3 10 1
1 {} {0.69374493576 0.330909035279 0.555338042783} H4 11 1
1 {} {0.125744548589 0.506187668297 0.712821123932} H5 12 1
1 {} {0.344434351888 0.549525790981 0.836554196563} H6 13 1
1 {} {0.365981752017 0.764920165562 0.373577643281} H7 14 1
1 {} {0.567431357689 0.693895542885 0.280234071424} H8 15 1
1 {} {0.582472156235 0.679131763986 0.524876535421} H10 16 1
8 {} {0.319205675546 0.643520130384 0.584374985925} O 17 1
1 {} {0.319630604597 0.738043084696 0.562800977765} 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