./iterations/neb0_image07_iter9.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 {} {0.470159251999 0.224135080383 0.488215578557} O1 1 1
14 {} {0.333176538922 0.223436287909 0.576976662125} Si1 2 1
14 {} {0.603770050676 0.304810229419 0.441491229393} Si2 3 1
8 {} {0.562544009218 0.456524948808 0.387481200706} O2 4 1
8 {} {0.329596703252 0.360204739126 0.673469114556} O3 5 1
14 {} {0.286216575301 0.517456574989 0.686666443928} Si3 6 1
14 {} {0.504155493819 0.606058683631 0.437096945905} Si4 7 1
1 {} {0.335425771152 0.111209803745 0.671316083187} H1 8 1
1 {} {0.216629407117 0.223668206207 0.486442314249} H2 9 1
1 {} {0.663750497012 0.233039251739 0.326715826218} H3 10 1
1 {} {0.698464635976 0.319497257542 0.555247718256} H4 11 1
1 {} {0.133590128469 0.51827658036 0.68996077208} H5 12 1
1 {} {0.344623991223 0.55975894179 0.820235643349} H6 13 1
1 {} {0.335792502076 0.828836045312 0.411195199013} H7 14 1
1 {} {0.526050258966 0.686771258311 0.29915743666} H8 15 1
1 {} {0.59654465115 0.674402190859 0.528404443491} H10 16 1
8 {} {0.349294634162 0.609023500938 0.555010717512} O 17 1
1 {} {0.320301040815 0.815408376986 0.495974675845} 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