iterations/neb0_image05_iter227.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 {} {0.474244876718 0.249527975851 0.490428686096} O1 1 1
14 {} {0.32603498854 0.229103820313 0.560365550436} Si1 2 1
14 {} {0.604871909001 0.34600973013 0.469257148836} Si2 3 1
8 {} {0.567434879113 0.501675510179 0.505607866482} O2 4 1
8 {} {0.27511224517 0.365563446699 0.633587088964} O3 5 1
14 {} {0.238899549344 0.523042621587 0.662534686489} Si3 6 1
14 {} {0.569394254535 0.655740815874 0.447499323596} Si4 7 1
1 {} {0.338290788428 0.121458137409 0.661833687521} H1 8 1
1 {} {0.228960076073 0.185987726501 0.456007036015} H2 9 1
1 {} {0.646848553243 0.336178033202 0.326639796491} H3 10 1
1 {} {0.711758714777 0.299417234759 0.560454374122} H4 11 1
1 {} {0.136179730572 0.524045022719 0.769911908867} H5 12 1
1 {} {0.363840943682 0.593909207722 0.695490662704} H6 13 1
1 {} {0.491411413222 0.738141786097 0.545366927515} H7 14 1
1 {} {0.499738708344 0.658704658329 0.315115620786} H8 15 1
1 {} {0.709272368463 0.706606483616 0.431717836752} H10 16 1
8 {} {0.177741939751 0.601901998273 0.52946109294} O 17 1
1 {} {0.25005006978 0.63550381785 0.469778889221} 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