iterations/neb0_image07_iter210.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.474269097188 0.230302764735 0.495566081889} O1 1 1
14 {} {0.33413383229 0.217204860522 0.581118776314} Si1 2 1
14 {} {0.616502777729 0.300630201368 0.452428325156} Si2 3 1
8 {} {0.599396397883 0.461691351002 0.423886362311} O2 4 1
8 {} {0.307383805121 0.3482600007 0.677432890505} O3 5 1
14 {} {0.290420146324 0.510589203111 0.651113748745} Si3 6 1
14 {} {0.49575476662 0.589281102703 0.4338945535} Si4 7 1
1 {} {0.34470274168 0.0984361714955 0.669743706104} H1 8 1
1 {} {0.221915073474 0.205350520949 0.482964109606} H2 9 1
1 {} {0.661089147757 0.23369102628 0.326908399393} H3 10 1
1 {} {0.715409527904 0.286281336477 0.563078768062} H4 11 1
1 {} {0.14744075932 0.550562102225 0.649407562993} H5 12 1
1 {} {0.368422752185 0.580765474641 0.756700447762} H6 13 1
1 {} {0.342937539761 0.920405585351 0.505072599866} H7 14 1
1 {} {0.467925896592 0.636199980599 0.295161757175} H8 15 1
1 {} {0.557157105091 0.692962964912 0.521925552251} H10 16 1
8 {} {0.350334395106 0.546981291048 0.501789889181} O 17 1
1 {} {0.314890151901 0.862921875989 0.542864256344} 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