./iterations/neb0_image02_iter24.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468947266886 0.238525868169 0.474397931931} O1 1 1
14 {} {0.32967787463 0.245926490969 0.56144878197} Si1 2 1
14 {} {0.59822105997 0.331044188887 0.431714953357} Si2 3 1
8 {} {0.547668545312 0.476116626111 0.373125827954} O2 4 1
8 {} {0.332875243854 0.377416421605 0.660245453985} O3 5 1
14 {} {0.270404717277 0.518202919998 0.718763206485} Si3 6 1
14 {} {0.528409580987 0.639938095391 0.378626284235} Si4 7 1
1 {} {0.320852446009 0.122345641698 0.645122294472} H1 8 1
1 {} {0.214105124855 0.254517094954 0.46704941187} H2 9 1
1 {} {0.670878029914 0.24956637156 0.329605764466} H3 10 1
1 {} {0.68641055991 0.345368198039 0.552490583589} H4 11 1
1 {} {0.124868045661 0.496709354414 0.736542123163} H5 12 1
1 {} {0.341884157962 0.540723898111 0.848689923141} H6 13 1
1 {} {0.38686984548 0.68947312538 0.354580986549} H7 14 1
1 {} {0.606026824392 0.702129842101 0.270259558071} H8 15 1
1 {} {0.564742184498 0.685538476375 0.513741857737} H10 16 1
8 {} {0.283181961119 0.639578999884 0.606894199158} O 17 1
1 {} {0.334062676938 0.719396351659 0.607758847974} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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