iterations/neb0_image06_iter157.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 {} {0.472924214959 0.231758752291 0.483217512009} O1 1 1
14 {} {0.331554172365 0.222202419814 0.568693290311} Si1 2 1
14 {} {0.609163615074 0.316179348784 0.451054561538} Si2 3 1
8 {} {0.570126507442 0.472936220884 0.441573787175} O2 4 1
8 {} {0.304961768402 0.354918481157 0.662392364108} O3 5 1
14 {} {0.282352986436 0.51736701667 0.659109859538} Si3 6 1
14 {} {0.485379943948 0.611793153825 0.446511120033} Si4 7 1
1 {} {0.335903835553 0.105730788974 0.661495135671} H1 8 1
1 {} {0.225068222769 0.210194343306 0.465550459943} H2 9 1
1 {} {0.663204534842 0.280507857232 0.316272511468} H3 10 1
1 {} {0.707523406623 0.299643457172 0.563888314571} H4 11 1
1 {} {0.140245952237 0.539169280183 0.699813583794} H5 12 1
1 {} {0.372728200317 0.585508464925 0.75371216955} H6 13 1
1 {} {0.395173748858 0.817921818054 0.511331360615} H7 14 1
1 {} {0.471965460041 0.657355912475 0.30449360154} H8 15 1
1 {} {0.579418413369 0.700100139604 0.520585808852} H10 16 1
8 {} {0.33198777756 0.572368622995 0.510178470588} O 17 1
1 {} {0.330403184927 0.776861753204 0.511184109871} 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