iterations/neb0_image09_iter226.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472345760525 0.215059589551 0.493748132961} O1 1 1
14 {} {0.333105838054 0.214872502492 0.581627646416} Si1 2 1
14 {} {0.606312058289 0.296336303541 0.445196839957} Si2 3 1
8 {} {0.570490076844 0.451666582155 0.403732622472} O2 4 1
8 {} {0.322419050136 0.349059253459 0.676121066684} O3 5 1
14 {} {0.300325944323 0.512415552976 0.673004774034} Si3 6 1
14 {} {0.511556103748 0.596863963114 0.452843139641} Si4 7 1
1 {} {0.334169501871 0.0965662613664 0.67119757285} H1 8 1
1 {} {0.218842747545 0.211379725346 0.486132021564} H2 9 1
1 {} {0.659125564113 0.22863875089 0.324139588574} H3 10 1
1 {} {0.705790300571 0.297756982424 0.556446396043} H4 11 1
1 {} {0.155456598321 0.54315970504 0.659387503829} H5 12 1
1 {} {0.358109645488 0.567647908287 0.798566231477} H6 13 1
1 {} {0.316296926006 0.914275860492 0.432075474698} H7 14 1
1 {} {0.474291030699 0.673186578015 0.331080151279} H8 15 1
1 {} {0.614959279726 0.666707335183 0.534492221226} H10 16 1
8 {} {0.375920951698 0.579102057091 0.543213751862} O 17 1
1 {} {0.280568733967 0.857823050315 0.468052481878} 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
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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