./iterations/neb0_image06_iter118.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 {} {0.47052948378 0.22883160666 0.490286406538} O1 1 1
14 {} {0.329640670229 0.224149114741 0.574804752021} Si1 2 1
14 {} {0.600440564008 0.319350229988 0.449676526722} Si2 3 1
8 {} {0.559462443326 0.472161588795 0.417645292388} O2 4 1
8 {} {0.322261859737 0.353628140854 0.67494189748} O3 5 1
14 {} {0.292987171656 0.515653291931 0.667142104733} Si3 6 1
14 {} {0.494942451815 0.620029059066 0.444962820525} Si4 7 1
1 {} {0.328807375962 0.100031655197 0.656202215911} H1 8 1
1 {} {0.213994416966 0.225836905098 0.480691579619} H2 9 1
1 {} {0.653792315401 0.262675838318 0.324518905108} H3 10 1
1 {} {0.699485879275 0.320695262646 0.56088189589} H4 11 1
1 {} {0.14607511148 0.536730653743 0.673895033146} H5 12 1
1 {} {0.362579376786 0.578540780704 0.782872682129} H6 13 1
1 {} {0.379757546177 0.803373465869 0.468537378932} H7 14 1
1 {} {0.486303164996 0.680815615544 0.306777535491} H8 15 1
1 {} {0.589504729428 0.699709011048 0.53042551767} H10 16 1
8 {} {0.35047102716 0.576223558667 0.524228217181} O 17 1
1 {} {0.329050505638 0.754082146498 0.502567230657} 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