iterations/neb0_image05_iter23.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 {} {0.469683675228 0.225835336148 0.482918778711} O1 1 1
14 {} {0.332037843338 0.233615147076 0.574103374781} Si1 2 1
14 {} {0.598523462617 0.318142846116 0.43828253659} Si2 3 1
8 {} {0.544982638275 0.472233479746 0.392690201264} O2 4 1
8 {} {0.331796242795 0.373359715048 0.664425546042} O3 5 1
14 {} {0.282580110067 0.528763921575 0.690110847768} Si3 6 1
14 {} {0.508299158265 0.635336110072 0.417281511066} Si4 7 1
1 {} {0.330740140867 0.112359514496 0.663150021107} H1 8 1
1 {} {0.215127553292 0.232774685378 0.479708537806} H2 9 1
1 {} {0.665980977823 0.240258486716 0.327210216525} H3 10 1
1 {} {0.694764013248 0.328240793734 0.554360959884} H4 11 1
1 {} {0.133687764936 0.515764137352 0.704730762186} H5 12 1
1 {} {0.340294791759 0.555643724504 0.825277126894} H6 13 1
1 {} {0.360332082935 0.779718692765 0.414121471883} H7 14 1
1 {} {0.545685811052 0.685972934991 0.285188714791} H8 15 1
1 {} {0.589935423355 0.678500806159 0.532205186417} H10 16 1
8 {} {0.336343278893 0.633503583304 0.56998258144} O 17 1
1 {} {0.329291170412 0.722494043147 0.515309613259} 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