./iterations/neb0_image05_iter279.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470330939072 0.273061708835 0.492853375444} O1 1 1
14 {} {0.325394988752 0.235331274303 0.557167658725} Si1 2 1
14 {} {0.61452086517 0.349555173627 0.475174810237} Si2 3 1
8 {} {0.607083458689 0.505356257731 0.527916289388} O2 4 1
8 {} {0.249010710348 0.364354265353 0.622586866668} O3 5 1
14 {} {0.233295769592 0.525562054866 0.650736175197} Si3 6 1
14 {} {0.580162696997 0.655160925574 0.464436888694} Si4 7 1
1 {} {0.342708345101 0.139399442616 0.668680477453} H1 8 1
1 {} {0.243335853122 0.178091985693 0.447155060943} H2 9 1
1 {} {0.645831263873 0.349620127983 0.328639021841} H3 10 1
1 {} {0.714259528479 0.27734349887 0.557959891506} H4 11 1
1 {} {0.129116814967 0.548652492834 0.752805587254} H5 12 1
1 {} {0.365401330701 0.573802876145 0.702610223274} H6 13 1
1 {} {0.542387973586 0.748591866234 0.574739232929} H7 14 1
1 {} {0.469559677074 0.64764552672 0.363637823269} H8 15 1
1 {} {0.701125114062 0.702260358017 0.393582376235} H10 16 1
8 {} {0.171839827414 0.606077429825 0.520358896456} O 17 1
1 {} {0.204720905005 0.592650881278 0.430017562797} 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