./iterations/neb0_image05_iter138.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 {} {0.471460041603 0.229600034682 0.484644062175} O1 1 1
14 {} {0.330926957108 0.22451741886 0.569225892451} Si1 2 1
14 {} {0.594754834579 0.335320988719 0.45246398487} Si2 3 1
8 {} {0.537206400313 0.487094994723 0.451256447744} O2 4 1
8 {} {0.314465117762 0.360576183971 0.658959584716} O3 5 1
14 {} {0.274872953817 0.517575443758 0.67533183454} Si3 6 1
14 {} {0.52188882783 0.652368291392 0.430559801583} Si4 7 1
1 {} {0.331304375901 0.108362049801 0.661597284747} H1 8 1
1 {} {0.218955908614 0.216039609583 0.472882884897} H2 9 1
1 {} {0.651297544465 0.288741377513 0.32157086825} H3 10 1
1 {} {0.698524836439 0.32582582019 0.557657718936} H4 11 1
1 {} {0.129964635057 0.531474430632 0.710647509073} H5 12 1
1 {} {0.367850312427 0.584521686331 0.772695228931} H6 13 1
1 {} {0.430122700365 0.771709867386 0.469863443093} H7 14 1
1 {} {0.519684122102 0.66532229879 0.283260158031} H8 15 1
1 {} {0.639837509659 0.700137544196 0.51167364682} H10 16 1
8 {} {0.294211960427 0.588152794895 0.526015407503} O 17 1
1 {} {0.282757004071 0.685177078343 0.520752285036} 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