./iterations/neb0_image09_iter112.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 {} {0.471943927482 0.214368791506 0.494288304347} O1 1 1
14 {} {0.335398561115 0.216201933252 0.58562379657} Si1 2 1
14 {} {0.603404937935 0.299459025674 0.444700324381} Si2 3 1
8 {} {0.561436890858 0.452136630991 0.401175848189} O2 4 1
8 {} {0.327354208016 0.353518706301 0.676130229806} O3 5 1
14 {} {0.297038185555 0.515095916073 0.670225527106} Si3 6 1
14 {} {0.507629800252 0.598952776876 0.451027054424} Si4 7 1
1 {} {0.33905927436 0.101155723324 0.679465332285} H1 8 1
1 {} {0.21805178212 0.210369429256 0.494078783478} H2 9 1
1 {} {0.658942472639 0.231835370184 0.324972788634} H3 10 1
1 {} {0.702070465159 0.306861770882 0.5561675759} H4 11 1
1 {} {0.150762519924 0.538289562006 0.656905082048} H5 12 1
1 {} {0.351437020811 0.574938234261 0.795055226154} H6 13 1
1 {} {0.323005887753 0.882057737894 0.414670585462} H7 14 1
1 {} {0.476317970337 0.678234253449 0.329950900237} H8 15 1
1 {} {0.611897318688 0.664113417752 0.535127643947} H10 16 1
8 {} {0.369705278368 0.582752595309 0.539736944154} O 17 1
1 {} {0.304629661762 0.852176100493 0.481756018623} 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