./iterations/neb0_image07_iter236.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 {} {0.47553232497 0.225043527093 0.49758968119} O1 1 1
14 {} {0.335488497397 0.21460121457 0.582658093082} Si1 2 1
14 {} {0.61563034219 0.297965270979 0.453955675512} Si2 3 1
8 {} {0.593487712673 0.458130016537 0.426591165053} O2 4 1
8 {} {0.310868406179 0.349740399989 0.673133318378} O3 5 1
14 {} {0.291248900419 0.510967419614 0.648116737728} Si3 6 1
14 {} {0.496731039949 0.590105380079 0.432140449121} Si4 7 1
1 {} {0.34252732595 0.10033729106 0.675843635259} H1 8 1
1 {} {0.223766506343 0.198958542318 0.485803660429} H2 9 1
1 {} {0.65941284586 0.232879447163 0.328406728848} H3 10 1
1 {} {0.716840625222 0.285692114205 0.562212819049} H4 11 1
1 {} {0.147063501167 0.548171844636 0.647684019873} H5 12 1
1 {} {0.365844990416 0.579448767488 0.757420426953} H6 13 1
1 {} {0.340401815858 0.92550305603 0.503071445396} H7 14 1
1 {} {0.470251803293 0.635334026304 0.293311700538} H8 15 1
1 {} {0.561339336114 0.694156104426 0.515857705394} H10 16 1
8 {} {0.351615235615 0.554150134604 0.500447422887} O 17 1
1 {} {0.312034670425 0.871333269769 0.54681306908} 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