iterations/neb0_image05_iter144.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 {} {0.472643757366 0.230800384018 0.483073785794} O1 1 1
14 {} {0.332667895225 0.22556663675 0.567500863071} Si1 2 1
14 {} {0.595641502752 0.334631876789 0.45384138919} Si2 3 1
8 {} {0.535500112625 0.488013857805 0.458927710417} O2 4 1
8 {} {0.310679937888 0.363255560079 0.656308393754} O3 5 1
14 {} {0.269239295217 0.51944050079 0.674328698154} Si3 6 1
14 {} {0.530413040758 0.652525789502 0.43278807016} Si4 7 1
1 {} {0.332317792759 0.109641447174 0.662735601625} H1 8 1
1 {} {0.221311853822 0.211610721256 0.469052137825} H2 9 1
1 {} {0.650746313234 0.297976430335 0.320807555493} H3 10 1
1 {} {0.699509630846 0.323154737946 0.559374757321} H4 11 1
1 {} {0.126988065664 0.530950574607 0.72190622243} H5 12 1
1 {} {0.370472414704 0.586185677705 0.764537072885} H6 13 1
1 {} {0.436184664868 0.765961792302 0.482559016997} H7 14 1
1 {} {0.51829388451 0.662070801061 0.284765562099} H8 15 1
1 {} {0.654444728775 0.703093243616 0.50243625392} H10 16 1
8 {} {0.276278347606 0.585295371841 0.519772508989} O 17 1
1 {} {0.276752797898 0.682342510426 0.51634246896} 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