iterations/neb0_image08_iter77.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 {} {0.471681084538 0.217952925717 0.489057552532} O1 1 1
14 {} {0.333967538992 0.221022553816 0.578014279189} Si1 2 1
14 {} {0.602205752359 0.307371655647 0.443953897026} Si2 3 1
8 {} {0.556920701696 0.45886758914 0.401367919179} O2 4 1
8 {} {0.330248250461 0.353833515455 0.675848134602} O3 5 1
14 {} {0.29876399466 0.515097767096 0.674545180516} Si3 6 1
14 {} {0.503928538329 0.605107774231 0.453740661434} Si4 7 1
1 {} {0.330452904306 0.100886872696 0.664622676421} H1 8 1
1 {} {0.218217424059 0.225602923535 0.484959401355} H2 9 1
1 {} {0.66319098758 0.244374600409 0.324364730349} H3 10 1
1 {} {0.696342635965 0.315684654667 0.559106042515} H4 11 1
1 {} {0.15187042872 0.537812885731 0.665089352862} H5 12 1
1 {} {0.356112114562 0.572584607571 0.79962755562} H6 13 1
1 {} {0.333111718865 0.839832272931 0.416073707312} H7 14 1
1 {} {0.472432696116 0.683854737563 0.332858581675} H8 15 1
1 {} {0.607242564385 0.670331468291 0.539194293049} H10 16 1
8 {} {0.367317212088 0.585660117871 0.543555476202} O 17 1
1 {} {0.316079575408 0.816639055567 0.485078534163} 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