./iterations/neb0_image09_iter264.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 {} {0.472558141504 0.21331401047 0.494645786304} O1 1 1
14 {} {0.333154952702 0.214761418043 0.58185712385} Si1 2 1
14 {} {0.60671120282 0.294349022234 0.446418273384} Si2 3 1
8 {} {0.57057799659 0.450358480985 0.408182843708} O2 4 1
8 {} {0.322734726128 0.350537788672 0.673582014927} O3 5 1
14 {} {0.300571087063 0.513762311245 0.671621439053} Si3 6 1
14 {} {0.512133886448 0.596961037488 0.452544391834} Si4 7 1
1 {} {0.334194851312 0.0981818390953 0.673698558781} H1 8 1
1 {} {0.21904312512 0.209874090142 0.486281045392} H2 9 1
1 {} {0.658761369862 0.22836687715 0.323867267903} H3 10 1
1 {} {0.706739168246 0.29284976328 0.557069856291} H4 11 1
1 {} {0.155657070472 0.54478635984 0.659941502246} H5 12 1
1 {} {0.359564477925 0.566994625902 0.797353836983} H6 13 1
1 {} {0.313875264822 0.917762931251 0.435673265631} H7 14 1
1 {} {0.476756980156 0.671656247884 0.329177692629} H8 15 1
1 {} {0.615182018159 0.667878784133 0.533483827472} H10 16 1
8 {} {0.374672234376 0.580596058036 0.541218274458} O 17 1
1 {} {0.277197618581 0.859526271899 0.464440656167} 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