./iterations/neb0_image06_iter5.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 {} {0.470946643928 0.227449162034 0.485881772272} O1 1 1
14 {} {0.332076980534 0.229593448767 0.576113113437} Si1 2 1
14 {} {0.603437115365 0.305952046818 0.441194775517} Si2 3 1
8 {} {0.562819534737 0.460875875857 0.384028709234} O2 4 1
8 {} {0.331123409083 0.356969066327 0.667999159716} O3 5 1
14 {} {0.279094028594 0.516877469637 0.699340959322} Si3 6 1
14 {} {0.513511025751 0.607848819639 0.424874789281} Si4 7 1
1 {} {0.33303210441 0.113824695672 0.667266825317} H1 8 1
1 {} {0.216428313784 0.228888990587 0.483605011406} H2 9 1
1 {} {0.665091577514 0.234976577868 0.327273636914} H3 10 1
1 {} {0.69659700158 0.323250265674 0.554976941892} H4 11 1
1 {} {0.132138342511 0.513767690642 0.697284635454} H5 12 1
1 {} {0.344287375995 0.555688929565 0.82410111166} H6 13 1
1 {} {0.344746704026 0.814275545798 0.388585283725} H7 14 1
1 {} {0.539723005001 0.690602243227 0.292444658128} H8 15 1
1 {} {0.590410236916 0.675908632471 0.524717377997} H10 16 1
8 {} {0.334450811297 0.617970880012 0.567601263789} O 17 1
1 {} {0.320171930766 0.797797620746 0.523767978024} 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