./iterations/neb0_image05_iter59.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.469064559096 0.222379211199 0.481799701384} O1 1 1
14 {} {0.332093058923 0.230063139216 0.571732727631} Si1 2 1
14 {} {0.5903391364 0.328851008181 0.44218183202} Si2 3 1
8 {} {0.525918255031 0.475722803958 0.411447059835} O2 4 1
8 {} {0.33214617374 0.363628629622 0.6687218907} O3 5 1
14 {} {0.286847361374 0.518746581682 0.688835284499} Si3 6 1
14 {} {0.50375625767 0.640872206583 0.431274640652} Si4 7 1
1 {} {0.329992374047 0.113789766481 0.665129230569} H1 8 1
1 {} {0.212443598548 0.232748292576 0.480106082583} H2 9 1
1 {} {0.65453764389 0.268835432128 0.322075174464} H3 10 1
1 {} {0.689430209065 0.339747106049 0.553953754502} H4 11 1
1 {} {0.140223968436 0.535666121706 0.687151385002} H5 12 1
1 {} {0.344430737317 0.569083572522 0.815232795387} H6 13 1
1 {} {0.393395407534 0.761423056677 0.422363887479} H7 14 1
1 {} {0.530811111581 0.681479927322 0.29242042628} H8 15 1
1 {} {0.597757948297 0.694210810486 0.532729972533} H10 16 1
8 {} {0.34821172446 0.601952021587 0.556271652861} O 17 1
1 {} {0.328686586633 0.693318266457 0.50763047915} 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