./iterations/neb0_image04_iter245.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 {} {0.465134012131 0.261195424537 0.491401353724} O1 1 1
14 {} {0.324572898557 0.229306543025 0.569106721405} Si1 2 1
14 {} {0.596590055358 0.348241596563 0.447238310643} Si2 3 1
8 {} {0.554298810224 0.504972299913 0.425899713151} O2 4 1
8 {} {0.286336962396 0.347029124333 0.676337563852} O3 5 1
14 {} {0.244185485485 0.503222115953 0.701451826215} Si3 6 1
14 {} {0.577885058713 0.665899382796 0.399806711272} Si4 7 1
1 {} {0.343216919066 0.104250168715 0.646000680049} H1 8 1
1 {} {0.217720470247 0.214554608275 0.467186170028} H2 9 1
1 {} {0.647934902653 0.289991292389 0.31890778648} H3 10 1
1 {} {0.700853278207 0.341357313157 0.555220644024} H4 11 1
1 {} {0.106456662773 0.511286220941 0.757421756822} H5 12 1
1 {} {0.344180870425 0.559927036487 0.795761381511} H6 13 1
1 {} {0.451674611893 0.738591114876 0.43411667265} H7 14 1
1 {} {0.61495398175 0.69045446727 0.257171582365} H8 15 1
1 {} {0.690466472049 0.716177320629 0.485474781214} H10 16 1
8 {} {0.24569331093 0.580926525886 0.554911681983} O 17 1
1 {} {0.197931201295 0.665135273268 0.547642889758} 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