./iterations/neb0_image06_iter160.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 {} {0.47244579043 0.230727731993 0.484611469581} O1 1 1
14 {} {0.331658195676 0.222126190189 0.568346632098} Si1 2 1
14 {} {0.609217428765 0.316369410084 0.451525738256} Si2 3 1
8 {} {0.56920586869 0.472640052978 0.442710031548} O2 4 1
8 {} {0.304964678006 0.35407353919 0.661897490485} O3 5 1
14 {} {0.283009267191 0.517361896437 0.658414795318} Si3 6 1
14 {} {0.486186916846 0.612031673046 0.445680101498} Si4 7 1
1 {} {0.336374962352 0.105791736358 0.660764990975} H1 8 1
1 {} {0.225394080953 0.209304918265 0.465918683573} H2 9 1
1 {} {0.662976153269 0.281020587109 0.3164379148} H3 10 1
1 {} {0.707702730964 0.298358156972 0.563824439187} H4 11 1
1 {} {0.140853328141 0.540048548413 0.698741591057} H5 12 1
1 {} {0.373444706059 0.585239226544 0.754613270411} H6 13 1
1 {} {0.394431195407 0.818646133095 0.512444940234} H7 14 1
1 {} {0.471424750658 0.657077946102 0.304384578368} H8 15 1
1 {} {0.578931529725 0.701031695732 0.520487200283} H10 16 1
8 {} {0.332123333927 0.572905275058 0.509206029858} O 17 1
1 {} {0.32974102644 0.777763114995 0.51104813031} 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