iterations/neb0_image09_iter185.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471922647692 0.21637123479 0.494093078459} O1 1 1
14 {} {0.333579360973 0.215456962405 0.582229687497} Si1 2 1
14 {} {0.605521076923 0.298221508756 0.444475024451} Si2 3 1
8 {} {0.568068464565 0.452155745005 0.401173531996} O2 4 1
8 {} {0.323248418064 0.349378376802 0.677790969411} O3 5 1
14 {} {0.299292211178 0.511947341605 0.672852817783} Si3 6 1
14 {} {0.510522017481 0.597533064394 0.45229749021} Si4 7 1
1 {} {0.335724961353 0.0971583786505 0.671563376584} H1 8 1
1 {} {0.218251554216 0.212717133785 0.488021581551} H2 9 1
1 {} {0.659481875185 0.229132249593 0.324728390461} H3 10 1
1 {} {0.704499668536 0.302326256253 0.555887813563} H4 11 1
1 {} {0.15398694893 0.540853099275 0.659285949061} H5 12 1
1 {} {0.355505655993 0.568336566737 0.798442826294} H6 13 1
1 {} {0.318695971731 0.904765603844 0.426074011914} H7 14 1
1 {} {0.474250739548 0.675890824285 0.33176811423} H8 15 1
1 {} {0.614824774554 0.665704535678 0.533970128374} H10 16 1
8 {} {0.374626114059 0.578127928434 0.543005639225} O 17 1
1 {} {0.288083643904 0.856441114819 0.473397278493} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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