iterations/neb0_image08_iter287.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.474493434266 0.212318304644 0.493811557942} O1 1 1
14 {} {0.334631582699 0.214387326804 0.579658976628} Si1 2 1
14 {} {0.610921861572 0.293548358209 0.453407903665} Si2 3 1
8 {} {0.581429123801 0.452919820158 0.430656092465} O2 4 1
8 {} {0.318058527864 0.354370199581 0.664098301187} O3 5 1
14 {} {0.296496223998 0.51707365818 0.657578988876} Si3 6 1
14 {} {0.504976696292 0.596764924274 0.443034709048} Si4 7 1
1 {} {0.335907180782 0.104249607594 0.678494202122} H1 8 1
1 {} {0.223161806284 0.201798384697 0.482681513694} H2 9 1
1 {} {0.663320271253 0.238944056148 0.325880325687} H3 10 1
1 {} {0.709026172067 0.278334871375 0.563768470203} H4 11 1
1 {} {0.150992483701 0.547732263699 0.65954468229} H5 12 1
1 {} {0.367585453904 0.576678798495 0.773783710693} H6 13 1
1 {} {0.318313741991 0.912610604156 0.469415167985} H7 14 1
1 {} {0.477144529045 0.650605415258 0.307685075719} H8 15 1
1 {} {0.591695856446 0.688294449302 0.52146853447} H10 16 1
8 {} {0.359386194471 0.578676387071 0.519093272921} O 17 1
1 {} {0.292544996858 0.853210398587 0.50699629813} 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