./iterations/neb0_image06_iter286.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.467666486449 0.26044271096 0.486972169199} O1 1 1
14 {} {0.321555834855 0.228288683143 0.556953439978} Si1 2 1
14 {} {0.607461622675 0.344937944262 0.474629964925} Si2 3 1
8 {} {0.588286956509 0.493923707077 0.543169756817} O2 4 1
8 {} {0.241726617273 0.353281030008 0.630024606562} O3 5 1
14 {} {0.270316274869 0.513011317437 0.660995468035} Si3 6 1
14 {} {0.495287023617 0.610816003588 0.470190586636} Si4 7 1
1 {} {0.34313452572 0.130576565704 0.665941734039} H1 8 1
1 {} {0.240654354885 0.172115612773 0.445439768874} H2 9 1
1 {} {0.635746640299 0.367247227151 0.329959957032} H3 10 1
1 {} {0.717148128975 0.275005037361 0.546773495167} H4 11 1
1 {} {0.145357294741 0.572893527327 0.716575193419} H5 12 1
1 {} {0.377337942128 0.542692697897 0.758197070483} H6 13 1
1 {} {0.409627045252 0.774893386954 0.477817917531} H7 14 1
1 {} {0.474172209455 0.599999352335 0.32472345374} H8 15 1
1 {} {0.598059382376 0.722478945108 0.46936122183} H10 16 1
8 {} {0.331978749106 0.573129589542 0.522422764967} O 17 1
1 {} {0.344569031398 0.736784901893 0.450909834813} 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