./iterations/neb0_image02_iter162.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.464205995 0.251128291168 0.489132652955} O1 1 1
14 {} {0.328506286568 0.239586184571 0.580752072997} Si1 2 1
14 {} {0.586386073831 0.342480028845 0.430334807376} Si2 3 1
8 {} {0.529205832512 0.484323467302 0.370664797826} O2 4 1
8 {} {0.319534044105 0.362861983445 0.688621283283} O3 5 1
14 {} {0.252803923025 0.50905341885 0.724648127109} Si3 6 1
14 {} {0.548843579376 0.647778390159 0.36368976869} Si4 7 1
1 {} {0.336117448683 0.111779974619 0.656035290131} H1 8 1
1 {} {0.210954227566 0.242683565377 0.490164323591} H2 9 1
1 {} {0.64918167766 0.266466706761 0.319450911918} H3 10 1
1 {} {0.684608004683 0.371551268641 0.538815801176} H4 11 1
1 {} {0.106575795665 0.491825111696 0.741136751607} H5 12 1
1 {} {0.320000718137 0.557364905422 0.848550652007} H6 13 1
1 {} {0.420150637155 0.710229803651 0.323451577712} H7 14 1
1 {} {0.655929175424 0.682649577096 0.2655650821} H8 15 1
1 {} {0.588643273305 0.701344571657 0.497811166219} H10 16 1
8 {} {0.267900224656 0.617526329643 0.60119273147} O 17 1
1 {} {0.340539168008 0.681884354109 0.601040346638} 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