./iterations/neb0_image03_iter215.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457680718383 0.265695539 0.491119573386} O1 1 1
14 {} {0.324361432217 0.237684710178 0.582096759194} Si1 2 1
14 {} {0.582692646774 0.351225189971 0.430217172688} Si2 3 1
8 {} {0.531890034381 0.494478455633 0.369820656835} O2 4 1
8 {} {0.305886058315 0.350493651582 0.69998054211} O3 5 1
14 {} {0.25832312198 0.504349498796 0.735784428127} Si3 6 1
14 {} {0.563208114361 0.656298124841 0.36217908916} Si4 7 1
1 {} {0.340122818318 0.105715415473 0.649504878876} H1 8 1
1 {} {0.20609854741 0.239690436799 0.490383094044} H2 9 1
1 {} {0.640892733443 0.27042534794 0.320728716524} H3 10 1
1 {} {0.682697668014 0.375872630936 0.537273440733} H4 11 1
1 {} {0.108741003711 0.511645655185 0.735206071191} H5 12 1
1 {} {0.317295455824 0.536769851157 0.868166929453} H6 13 1
1 {} {0.436058187726 0.724116700415 0.326322438608} H7 14 1
1 {} {0.664004467614 0.682835311446 0.255543772557} H8 15 1
1 {} {0.612847676534 0.70856099903 0.492506733213} H10 16 1
8 {} {0.31835289558 0.614433897808 0.627805556453} O 17 1
1 {} {0.258932621645 0.642226645623 0.556417864659} 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