./iterations/neb0_image06_iter86.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 {} {0.469889171754 0.22349470324 0.489651188832} O1 1 1
14 {} {0.33103936738 0.224178554267 0.578274891235} Si1 2 1
14 {} {0.594391539936 0.320311142987 0.444459583678} Si2 3 1
8 {} {0.544577024534 0.470349598442 0.408621366385} O2 4 1
8 {} {0.325591335979 0.353220009962 0.679616493822} O3 5 1
14 {} {0.295036392528 0.515305743371 0.678769520559} Si3 6 1
14 {} {0.498476494827 0.620977805145 0.447724034277} Si4 7 1
1 {} {0.32705347926 0.101849498409 0.662786574547} H1 8 1
1 {} {0.215686796352 0.231084711087 0.484180690039} H2 9 1
1 {} {0.654700365146 0.269619808663 0.319152656816} H3 10 1
1 {} {0.689033002389 0.330789221795 0.557997883124} H4 11 1
1 {} {0.147838767563 0.540335953585 0.671559971592} H5 12 1
1 {} {0.352677903377 0.570615841055 0.804728567101} H6 13 1
1 {} {0.367159946036 0.791868376643 0.431481619739} H7 14 1
1 {} {0.505524736872 0.679184247213 0.308268538075} H8 15 1
1 {} {0.597063744507 0.69446469104 0.532748937687} H10 16 1
8 {} {0.364720908588 0.585366941705 0.545860971064} O 17 1
1 {} {0.329625126063 0.749501125858 0.485174502199} 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