./iterations/neb0_image04_iter55.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467965105843 0.22650077409 0.481932731516} O1 1 1
14 {} {0.330840777481 0.234581824504 0.572319610867} Si1 2 1
14 {} {0.587716127058 0.332162381975 0.438469270737} Si2 3 1
8 {} {0.521364507807 0.477727984667 0.400054700871} O2 4 1
8 {} {0.330982008396 0.369344180134 0.666486959712} O3 5 1
14 {} {0.277635577604 0.52021951038 0.700399951992} Si3 6 1
14 {} {0.521654836622 0.643476186089 0.404996540622} Si4 7 1
1 {} {0.331450726707 0.11875287092 0.665081846424} H1 8 1
1 {} {0.212779994547 0.233193693883 0.480626563887} H2 9 1
1 {} {0.654175976648 0.269575004063 0.320279341522} H3 10 1
1 {} {0.686948601794 0.34649309527 0.550680743183} H4 11 1
1 {} {0.128851506026 0.527123459556 0.702949631493} H5 12 1
1 {} {0.338967843558 0.563856744482 0.828368204784} H6 13 1
1 {} {0.395776296168 0.72425161262 0.39766243863} H7 14 1
1 {} {0.577889789431 0.685326652535 0.274146506756} H8 15 1
1 {} {0.599162928628 0.691912545559 0.523669087077} H10 16 1
8 {} {0.336418428122 0.610817036747 0.577987436909} O 17 1
1 {} {0.309505096437 0.697202410742 0.544946441109} 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