./iterations/neb0_image09_iter122.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471917658616 0.214489046178 0.494105414526} O1 1 1
14 {} {0.33521041841 0.216202109982 0.585252250357} Si1 2 1
14 {} {0.603607274521 0.299293837097 0.444595302772} Si2 3 1
8 {} {0.561847109733 0.452103449072 0.400808544242} O2 4 1
8 {} {0.326987518337 0.353156428312 0.676493539963} O3 5 1
14 {} {0.29724431227 0.514846612347 0.670528911164} Si3 6 1
14 {} {0.508034779015 0.598873481337 0.451244446914} Si4 7 1
1 {} {0.338819842826 0.100798528274 0.678530232748} H1 8 1
1 {} {0.217877086829 0.210558430986 0.49369662793} H2 9 1
1 {} {0.658901406483 0.231203307464 0.324896933654} H3 10 1
1 {} {0.702354790606 0.307160548019 0.556164792508} H4 11 1
1 {} {0.151101919387 0.538508018942 0.657045645368} H5 12 1
1 {} {0.351608646916 0.574389466228 0.795558976408} H6 13 1
1 {} {0.322661619489 0.883562624881 0.415587066095} H7 14 1
1 {} {0.476054861266 0.677791859138 0.329982943655} H8 15 1
1 {} {0.612205060465 0.664633365934 0.535513680833} H10 16 1
8 {} {0.370082074546 0.582381902462 0.5399712315} O 17 1
1 {} {0.303569771285 0.852564963801 0.48108141875} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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