./iterations/neb0_image07_iter268.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.479459395643 0.211245270849 0.501753452534} O1 1 1
14 {} {0.337426494214 0.21120482672 0.58550982196} Si1 2 1
14 {} {0.613186640826 0.29383024803 0.455053262551} Si2 3 1
8 {} {0.581372036647 0.452868438803 0.430274197513} O2 4 1
8 {} {0.314448059073 0.353504780763 0.663871739887} O3 5 1
14 {} {0.29009815215 0.515507111161 0.647219997083} Si3 6 1
14 {} {0.496723284168 0.592649799869 0.430413047564} Si4 7 1
1 {} {0.341514604732 0.105377046514 0.689954991393} H1 8 1
1 {} {0.228314308259 0.188345714307 0.486091257074} H2 9 1
1 {} {0.661896841287 0.235936106494 0.32714332437} H3 10 1
1 {} {0.715577929463 0.28164441273 0.56207889042} H4 11 1
1 {} {0.144057626147 0.54201121538 0.647445648406} H5 12 1
1 {} {0.362652160072 0.583451168569 0.758739336854} H6 13 1
1 {} {0.33813971148 0.925937651728 0.497405586337} H7 14 1
1 {} {0.470277283551 0.636489396556 0.291657143451} H8 15 1
1 {} {0.575970264811 0.693901298347 0.505400779256} H10 16 1
8 {} {0.349914657865 0.569738888641 0.502806367839} O 17 1
1 {} {0.309056346553 0.878874469906 0.548238851365} 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