iterations/neb0_image06_iter116.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470257499104 0.228105739442 0.490857391557} O1 1 1
14 {} {0.330046117767 0.223666589713 0.575433783653} Si1 2 1
14 {} {0.599649458897 0.31947423254 0.449334121976} Si2 3 1
8 {} {0.557277330441 0.4728204296 0.415726132572} O2 4 1
8 {} {0.322727250076 0.353308469318 0.675650763564} O3 5 1
14 {} {0.29366564996 0.515450292993 0.668504834272} Si3 6 1
14 {} {0.495896501724 0.619823894821 0.445233694505} Si4 7 1
1 {} {0.328292088769 0.0995129358939 0.65654291825} H1 8 1
1 {} {0.21430509919 0.226723405153 0.481922087613} H2 9 1
1 {} {0.653312381659 0.263589500149 0.324257819737} H3 10 1
1 {} {0.698327533026 0.321556514006 0.560788219903} H4 11 1
1 {} {0.146872990844 0.537573737487 0.672040490008} H5 12 1
1 {} {0.361675400987 0.577599888748 0.785346133887} H6 13 1
1 {} {0.377596687572 0.802948095986 0.46412402954} H7 14 1
1 {} {0.488963039838 0.680579960475 0.306954346762} H8 15 1
1 {} {0.589568777682 0.699228159049 0.53042632464} H10 16 1
8 {} {0.352589718547 0.577657340152 0.527139223195} O 17 1
1 {} {0.32906256954 0.752898750054 0.500775680293} 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