./iterations/neb0_image02_iter53.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467962160203 0.236150417468 0.475123510829} O1 1 1
14 {} {0.329212895437 0.244790974487 0.563018739182} Si1 2 1
14 {} {0.595712021467 0.330688703471 0.432147340331} Si2 3 1
8 {} {0.544330844542 0.474962327515 0.37407985958} O2 4 1
8 {} {0.333861121791 0.3769807182 0.660586297367} O3 5 1
14 {} {0.267442667737 0.516727333735 0.715353660479} Si3 6 1
14 {} {0.52897366957 0.638627979715 0.380263541182} Si4 7 1
1 {} {0.322870704477 0.122787088817 0.648132847825} H1 8 1
1 {} {0.213039447923 0.252698395187 0.469590621356} H2 9 1
1 {} {0.666956055219 0.259227724462 0.323157210408} H3 10 1
1 {} {0.683656038246 0.353735073106 0.550728833014} H4 11 1
1 {} {0.121426625636 0.498366120587 0.737367684414} H5 12 1
1 {} {0.340848899059 0.553100933701 0.839599052539} H6 13 1
1 {} {0.386739846721 0.676646270875 0.358046087959} H7 14 1
1 {} {0.613344811787 0.698832738481 0.274112519891} H8 15 1
1 {} {0.574248990556 0.690218589849 0.512873604673} H10 16 1
8 {} {0.281256964484 0.635096488673 0.601481545829} O 17 1
1 {} {0.338202379913 0.712880076401 0.615395032517} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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