./iterations/neb0_image06_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_image06

@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 {} {0.472298443309 0.231578976745 0.48387069083} O1 1 1
14 {} {0.331616730172 0.222412953331 0.568863954195} Si1 2 1
14 {} {0.606183922473 0.320187401739 0.450369937208} Si2 3 1
8 {} {0.575330683477 0.477446459919 0.434875840416} O2 4 1
8 {} {0.309949823797 0.351677986042 0.667183722995} O3 5 1
14 {} {0.284062657906 0.513608171508 0.661372997888} Si3 6 1
14 {} {0.484957434253 0.611897994275 0.446708188777} Si4 7 1
1 {} {0.332429286597 0.105996192063 0.661457692204} H1 8 1
1 {} {0.22033174374 0.216919671704 0.470237537017} H2 9 1
1 {} {0.659815042075 0.273131521554 0.321966934837} H3 10 1
1 {} {0.703450343303 0.309435135775 0.559628125915} H4 11 1
1 {} {0.138956343529 0.537320457914 0.693634843655} H5 12 1
1 {} {0.37049481025 0.588011093743 0.758240280432} H6 13 1
1 {} {0.394742334785 0.811423829687 0.498957636359} H7 14 1
1 {} {0.47459757455 0.665400599881 0.30938310952} H8 15 1
1 {} {0.585676599945 0.697375723434 0.521407247652} H10 16 1
8 {} {0.333148476136 0.569212443662 0.511107509138} O 17 1
1 {} {0.332043752448 0.769481238562 0.51179174199} 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