iterations/neb0_image05_iter73.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 {} {0.46853309407 0.223078623473 0.485790543077} O1 1 1
14 {} {0.331412238634 0.225900228172 0.574422231005} Si1 2 1
14 {} {0.589429720616 0.328675194193 0.443314675107} Si2 3 1
8 {} {0.527667132888 0.476970569795 0.417064873396} O2 4 1
8 {} {0.328625972275 0.358412076751 0.674051281401} O3 5 1
14 {} {0.289085132721 0.516486792622 0.684036358507} Si3 6 1
14 {} {0.503553417925 0.643865178439 0.428972510831} Si4 7 1
1 {} {0.327781965963 0.107658073929 0.662699256417} H1 8 1
1 {} {0.215579376492 0.232833663827 0.482899361595} H2 9 1
1 {} {0.653292593594 0.276383783696 0.318669430999} H3 10 1
1 {} {0.686847278833 0.338793414564 0.556009085341} H4 11 1
1 {} {0.142292007762 0.539709506233 0.678170040163} H5 12 1
1 {} {0.350599153693 0.571934055886 0.807933475161} H6 13 1
1 {} {0.393008268278 0.766779483226 0.430838386923} H7 14 1
1 {} {0.533528212154 0.677379455457 0.286896759734} H8 15 1
1 {} {0.599236607179 0.696290182427 0.532494782719} H10 16 1
8 {} {0.346146005393 0.598897695691 0.549529918676} O 17 1
1 {} {0.323467923871 0.692469968497 0.517265013472} 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