./iterations/neb0_image08_iter184.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 {} {0.470967941435 0.22784534459 0.493220575069} O1 1 1
14 {} {0.330009093887 0.22056255214 0.5766825831} Si1 2 1
14 {} {0.611915395932 0.299692514219 0.449977128679} Si2 3 1
8 {} {0.589080248296 0.458005383824 0.412146037756} O2 4 1
8 {} {0.313976627288 0.347974723159 0.67971590158} O3 5 1
14 {} {0.300638750816 0.512052679732 0.672151495313} Si3 6 1
14 {} {0.512474258665 0.598023980101 0.449992849157} Si4 7 1
1 {} {0.330854655773 0.0973931764113 0.659059349478} H1 8 1
1 {} {0.218307459439 0.22162398925 0.478256338615} H2 9 1
1 {} {0.663328146137 0.230944126168 0.328953319381} H3 10 1
1 {} {0.708048039827 0.290988621325 0.563396667661} H4 11 1
1 {} {0.157386762451 0.549540929363 0.661725330941} H5 12 1
1 {} {0.363196350983 0.567843166823 0.794598781683} H6 13 1
1 {} {0.315277274243 0.896652243334 0.467811383146} H7 14 1
1 {} {0.470146566822 0.663392709022 0.323876558359} H8 15 1
1 {} {0.60525406823 0.684332935575 0.527687702913} H10 16 1
8 {} {0.377145346053 0.568802548288 0.538826125635} O 17 1
1 {} {0.272079274819 0.83684624769 0.452979665193} 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