iterations/neb0_image01_iter210.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.463583932654 0.25691484522 0.478043859903} O1 1 1
14 {} {0.327321276046 0.250864618348 0.568748250213} Si1 2 1
14 {} {0.59683187806 0.337090086399 0.42641216399} Si2 3 1
8 {} {0.5563858238 0.476907834129 0.350658149741} O2 4 1
8 {} {0.32321058393 0.374217575806 0.676933695261} O3 5 1
14 {} {0.254617192808 0.512789000469 0.733428495663} Si3 6 1
14 {} {0.539221545146 0.640383363994 0.360535996141} Si4 7 1
1 {} {0.329024482446 0.122963585365 0.644261330281} H1 8 1
1 {} {0.210081639206 0.259489969225 0.477282418632} H2 9 1
1 {} {0.665486877616 0.250495651975 0.327703302727} H3 10 1
1 {} {0.683688452456 0.3689706159 0.543104087807} H4 11 1
1 {} {0.108242640813 0.494081000327 0.750646177017} H5 12 1
1 {} {0.323810776737 0.542318781672 0.861696035243} H6 13 1
1 {} {0.403611904261 0.678634221588 0.313039250604} H7 14 1
1 {} {0.643389058648 0.707332116091 0.277518456736} H8 15 1
1 {} {0.55472483333 0.68519371896 0.503162313818} H10 16 1
8 {} {0.26927321426 0.638016512395 0.62690050803} O 17 1
1 {} {0.357579792519 0.675854302882 0.610983390524} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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