iterations/neb0_image04_iter67.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467691001565 0.228759691569 0.483340210008} O1 1 1
14 {} {0.330634335939 0.232415638645 0.573813804526} Si1 2 1
14 {} {0.586638225031 0.333602712151 0.438149934655} Si2 3 1
8 {} {0.520525111181 0.479393179501 0.402438533517} O2 4 1
8 {} {0.326985126289 0.364228063571 0.672792018622} O3 5 1
14 {} {0.278353506641 0.517616483307 0.701043720771} Si3 6 1
14 {} {0.522891068976 0.645374715398 0.404873993356} Si4 7 1
1 {} {0.330318417677 0.115183255983 0.664925424263} H1 8 1
1 {} {0.212985811792 0.233980448142 0.481931115846} H2 9 1
1 {} {0.652115737822 0.276182546391 0.317633292828} H3 10 1
1 {} {0.683317113949 0.350011758042 0.550376512314} H4 11 1
1 {} {0.129637145788 0.528171403319 0.70159588935} H5 12 1
1 {} {0.338202689869 0.562799845947 0.829484263793} H6 13 1
1 {} {0.395994107992 0.726801661764 0.393397834201} H7 14 1
1 {} {0.584111787476 0.683328503415 0.276047995901} H8 15 1
1 {} {0.603689976736 0.69369504525 0.519775219418} H10 16 1
8 {} {0.340084517408 0.608151419928 0.576848093658} O 17 1
1 {} {0.305910444451 0.692821592349 0.542590137085} 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