./iterations/neb0_image06_iter74.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 {} {0.468247039021 0.221955386363 0.486838028616} O1 1 1
14 {} {0.331011157128 0.225941252699 0.57673599222} Si1 2 1
14 {} {0.594125557202 0.319309044442 0.443311477753} Si2 3 1
8 {} {0.541299812402 0.468388434823 0.407965365756} O2 4 1
8 {} {0.327234326518 0.355768371213 0.677426970089} O3 5 1
14 {} {0.295511969085 0.517123769285 0.68053284984} Si3 6 1
14 {} {0.499001367319 0.619677751977 0.45031434875} Si4 7 1
1 {} {0.327931615982 0.106037104739 0.663108292264} H1 8 1
1 {} {0.216074240382 0.231621780181 0.483015428001} H2 9 1
1 {} {0.656267497513 0.268066786914 0.318864824399} H3 10 1
1 {} {0.689081458644 0.33419011089 0.557122493766} H4 11 1
1 {} {0.14841717625 0.539198458323 0.675219350459} H5 12 1
1 {} {0.349626461562 0.569813148376 0.808770174438} H6 13 1
1 {} {0.369077474692 0.786271305819 0.425889491682} H7 14 1
1 {} {0.5046998712 0.681393533092 0.312300432683} H8 15 1
1 {} {0.598523525013 0.692594104356 0.533559855237} H10 16 1
8 {} {0.365504202361 0.588973407517 0.550187624106} O 17 1
1 {} {0.328451354993 0.746194205754 0.479894987415} 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
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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
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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