iterations/neb0_image05_iter82.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470558250823 0.224217901869 0.487589062852} O1 1 1
14 {} {0.33225341985 0.224332362894 0.575455871929} Si1 2 1
14 {} {0.589256013031 0.331007871834 0.443983424032} Si2 3 1
8 {} {0.528882081737 0.480022356321 0.419389936436} O2 4 1
8 {} {0.327411800358 0.357352619564 0.675134753109} O3 5 1
14 {} {0.288619668549 0.515342907853 0.68324121702} Si3 6 1
14 {} {0.503260644893 0.646544892906 0.428142635006} Si4 7 1
1 {} {0.326598082018 0.103246411423 0.662072580075} H1 8 1
1 {} {0.215325040076 0.23250855311 0.48349725214} H2 9 1
1 {} {0.651805578957 0.278752855139 0.319402675106} H3 10 1
1 {} {0.686062919782 0.33573626613 0.556459985567} H4 11 1
1 {} {0.141789046237 0.540904899829 0.674637137157} H5 12 1
1 {} {0.354434328586 0.573470137778 0.803879374755} H6 13 1
1 {} {0.396361863238 0.769665786497 0.434855580331} H7 14 1
1 {} {0.533743778695 0.675165112334 0.285450200439} H8 15 1
1 {} {0.59815370676 0.695770310713 0.53034871267} H10 16 1
8 {} {0.346016400748 0.596398082592 0.545775546185} O 17 1
1 {} {0.31955347764 0.692078612165 0.521742041226} 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