iterations/neb0_image05_iter76.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 {} {0.468752839857 0.223229215907 0.48618874208} O1 1 1
14 {} {0.331697056983 0.225606665291 0.574529154701} Si1 2 1
14 {} {0.589448138089 0.329362949566 0.443359384975} Si2 3 1
8 {} {0.527848664145 0.477323864372 0.417592061041} O2 4 1
8 {} {0.328464278844 0.358042812007 0.674237737222} O3 5 1
14 {} {0.289100019124 0.51646249148 0.683627066367} Si3 6 1
14 {} {0.503565203018 0.6445446046 0.428690150983} Si4 7 1
1 {} {0.3275638829 0.106863979147 0.662630166778} H1 8 1
1 {} {0.215491934478 0.232790419897 0.482993912951} H2 9 1
1 {} {0.652983908171 0.276872433147 0.318840986659} H3 10 1
1 {} {0.686621566697 0.338269750587 0.556018672192} H4 11 1
1 {} {0.142000367619 0.539990576223 0.677520553216} H5 12 1
1 {} {0.351357458488 0.57230004776 0.807412253542} H6 13 1
1 {} {0.393665737149 0.767186041668 0.431657517718} H7 14 1
1 {} {0.533494661184 0.676890346125 0.286839363056} H8 15 1
1 {} {0.598993672316 0.69618671558 0.532093839336} H10 16 1
8 {} {0.346291006307 0.598261700974 0.548879726131} O 17 1
1 {} {0.322745707244 0.692333331168 0.5179466959} 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