iterations/neb0_image03_iter142.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.462788111688 0.250959979366 0.490435269058} O1 1 1
14 {} {0.326514103909 0.234548372468 0.580818228378} Si1 2 1
14 {} {0.582935821157 0.346154375798 0.431855098516} Si2 3 1
8 {} {0.52488239391 0.489544386102 0.38018465068} O2 4 1
8 {} {0.313819294795 0.352175707511 0.694949045688} O3 5 1
14 {} {0.266047646572 0.507339093444 0.722230276926} Si3 6 1
14 {} {0.550077672477 0.652438714429 0.372057709933} Si4 7 1
1 {} {0.334608126886 0.10326186274 0.651258310706} H1 8 1
1 {} {0.207827512415 0.239689779639 0.489577807086} H2 9 1
1 {} {0.644447788077 0.272471765235 0.317780437121} H3 10 1
1 {} {0.682356226352 0.371665525867 0.540337389277} H4 11 1
1 {} {0.11710375997 0.517835934561 0.724523224636} H5 12 1
1 {} {0.325021288473 0.545694030504 0.852472848181} H6 13 1
1 {} {0.420623166878 0.714800549639 0.337693672673} H7 14 1
1 {} {0.649475363654 0.678487687907 0.264926461275} H8 15 1
1 {} {0.603995032312 0.708444115958 0.498559130271} H10 16 1
8 {} {0.325642331877 0.604397529493 0.601358300137} O 17 1
1 {} {0.271920536362 0.682608619974 0.580039988006} 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