./iterations/neb0_image08_iter44.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470700052914 0.215761129866 0.487779591873} O1 1 1
14 {} {0.334185482463 0.220960344192 0.577615367008} Si1 2 1
14 {} {0.601101329808 0.306313791277 0.443539507753} Si2 3 1
8 {} {0.554652706953 0.456917317153 0.400777721483} O2 4 1
8 {} {0.332503966686 0.355884235143 0.67301605791} O3 5 1
14 {} {0.297110207608 0.515659394593 0.674127733368} Si3 6 1
14 {} {0.504223811257 0.605142412841 0.452651406909} Si4 7 1
1 {} {0.334129822683 0.105384882136 0.669595634523} H1 8 1
1 {} {0.216411934455 0.22300336833 0.486658683296} H2 9 1
1 {} {0.661953216169 0.24075758283 0.325557033387} H3 10 1
1 {} {0.697831819172 0.319848224898 0.555871862002} H4 11 1
1 {} {0.149427255574 0.5362160577 0.669310098734} H5 12 1
1 {} {0.351234445008 0.573114092462 0.800757044765} H6 13 1
1 {} {0.3327980825 0.834471416337 0.415523995917} H7 14 1
1 {} {0.481078198985 0.680763959233 0.327969614612} H8 15 1
1 {} {0.605662538174 0.672534761726 0.540006871945} H10 16 1
8 {} {0.364697189171 0.588767123768 0.542608577795} O 17 1
1 {} {0.320384066736 0.821017872698 0.487691199083} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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