./iterations/neb0_image06_iter79.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 {} {0.469221325938 0.223327220678 0.488167513623} O1 1 1
14 {} {0.330951176235 0.224973658833 0.577560734418} Si1 2 1
14 {} {0.594054661934 0.31955657077 0.443838994215} Si2 3 1
8 {} {0.542513628458 0.468728754989 0.408690422594} O2 4 1
8 {} {0.326155232726 0.354577937772 0.678664625117} O3 5 1
14 {} {0.295772273099 0.516086670359 0.679247222907} Si3 6 1
14 {} {0.498886093818 0.620946078213 0.448440575855} Si4 7 1
1 {} {0.327352881406 0.104207451088 0.662923768099} H1 8 1
1 {} {0.216286378988 0.23146152011 0.483908228571} H2 9 1
1 {} {0.655465331817 0.269362888102 0.318867557247} H3 10 1
1 {} {0.688452607066 0.332870412736 0.55726708456} H4 11 1
1 {} {0.148130224858 0.539811806174 0.673648294693} H5 12 1
1 {} {0.35078183903 0.569980251112 0.807326057687} H6 13 1
1 {} {0.368133421046 0.788416908086 0.428297468875} H7 14 1
1 {} {0.505162710417 0.680075995132 0.310847525754} H8 15 1
1 {} {0.598048827864 0.69362916126 0.533370909693} H10 16 1
8 {} {0.36545986536 0.586968667593 0.548180051825} O 17 1
1 {} {0.329257627953 0.747536014583 0.48181095329} 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