./iterations/neb0_image06_iter27.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 {} {0.469147052508 0.226514657402 0.481499103264} O1 1 1
14 {} {0.331647701852 0.233307158102 0.573025305265} Si1 2 1
14 {} {0.597866385328 0.318572356953 0.438640114203} Si2 3 1
8 {} {0.54509190867 0.470050510714 0.394465425727} O2 4 1
8 {} {0.332483095414 0.365692150318 0.666782710896} O3 5 1
14 {} {0.288527343965 0.523985738162 0.687140286891} Si3 6 1
14 {} {0.499202259968 0.620669109779 0.440843001417} Si4 7 1
1 {} {0.329567389166 0.111668082493 0.659740910162} H1 8 1
1 {} {0.215631905888 0.235099009801 0.478413244527} H2 9 1
1 {} {0.666369530919 0.242878892299 0.327530951777} H3 10 1
1 {} {0.69362633335 0.330562792437 0.553816087197} H4 11 1
1 {} {0.139200396797 0.517838659605 0.70426531329} H5 12 1
1 {} {0.339460584079 0.555788014595 0.822208741538} H6 13 1
1 {} {0.350770958261 0.792735112056 0.422215007346} H7 14 1
1 {} {0.528286744898 0.684571284608 0.299591247477} H8 15 1
1 {} {0.591370133484 0.681523704352 0.534850364428} H10 16 1
8 {} {0.357024490881 0.607916901192 0.557969670611} O 17 1
1 {} {0.334811927763 0.753143817053 0.488060504148} 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