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

Status: finished

#MD System 2.0

@Title Untitled

@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 {} {0.466605611461 0.24953244603 0.467903185108} O1 1 1
14 {} {0.325594449924 0.257054651673 0.551676565773} Si1 2 1
14 {} {0.602857527625 0.333228682831 0.430148309977} Si2 3 1
8 {} {0.565896801125 0.476961827754 0.360670572675} O2 4 1
8 {} {0.330770692275 0.383789827199 0.655598675177} O3 5 1
14 {} {0.26198052161 0.508963811282 0.737254983334} Si3 6 1
14 {} {0.533008925324 0.637908859503 0.362114715077} Si4 7 1
1 {} {0.312240099333 0.131235610223 0.629975902182} H1 8 1
1 {} {0.213336948459 0.274655053995 0.455226332015} H2 9 1
1 {} {0.678241430131 0.25254312456 0.330843142895} H3 10 1
1 {} {0.681707201244 0.357593290146 0.554269725001} H4 11 1
1 {} {0.118105329475 0.480340125837 0.76169451159} H5 12 1
1 {} {0.340426647096 0.524152588016 0.862996253979} H6 13 1
1 {} {0.391871697372 0.660413324405 0.320010025564} H7 14 1
1 {} {0.626123245172 0.707181870697 0.268640906472} H8 15 1
1 {} {0.551847169087 0.694161433555 0.499902053357} H10 16 1
8 {} {0.262512842765 0.648817417642 0.64942034265} O 17 1
1 {} {0.346959000523 0.693984014653 0.632711797175} 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
4 1 0 0
7 1 0 0
8 1 0 0
3 2 0 0
9 2 0 0
10 2 0 0
6 3 0 0
5 4 0 0
11 5 0 0
12 5 0 0
16 5 0 0
13 6 0 0
14 6 0 0
15 6 0 0
17 16 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 1 0 {0 0 0} 0
1 2 0 {0 0 0} 0
2 4 1 {0 0 0} 0
3 7 1 {0 0 0} 0
4 8 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 9 2 {0 0 0} 0
7 10 2 {0 0 0} 0
8 6 3 {0 0 0} 0
9 5 4 {0 0 0} 0
10 11 5 {0 0 0} 0
11 12 5 {0 0 0} 0
12 16 5 {0 0 0} 0
13 13 6 {0 0 0} 0
14 14 6 {0 0 0} 0
15 15 6 {0 0 0} 0
16 17 16 {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