./iterations/neb0_image05_iter206.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 {} {0.473643905435 0.243923205541 0.488851784078} O1 1 1
14 {} {0.32733722912 0.227409786888 0.561883397522} Si1 2 1
14 {} {0.602108744873 0.343119506936 0.467451050657} Si2 3 1
8 {} {0.558473936665 0.498979972457 0.498535559799} O2 4 1
8 {} {0.280986500955 0.363690801756 0.639053527431} O3 5 1
14 {} {0.244061624855 0.52245979126 0.663319443968} Si3 6 1
14 {} {0.564061009636 0.654022665906 0.443184021965} Si4 7 1
1 {} {0.338712581296 0.118093229617 0.661504275501} H1 8 1
1 {} {0.226217408056 0.192035909005 0.458670934302} H2 9 1
1 {} {0.645423971462 0.335748923313 0.325519102399} H3 10 1
1 {} {0.710003715512 0.307128164772 0.56307850059} H4 11 1
1 {} {0.133958922806 0.522087549323 0.765490270819} H5 12 1
1 {} {0.367818224581 0.596200666967 0.705264930347} H6 13 1
1 {} {0.476849635759 0.730818114538 0.538440894964} H7 14 1
1 {} {0.509371226069 0.664276573375 0.303799166212} H8 15 1
1 {} {0.704425632245 0.705617215918 0.440876501526} H10 16 1
8 {} {0.187910273533 0.596779231642 0.525705498414} O 17 1
1 {} {0.25872146524 0.650126679302 0.480429309059} 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