./iterations/neb0_image05_iter236.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 {} {0.473410688739 0.253651412554 0.491241758528} O1 1 1
14 {} {0.325698585213 0.229203986161 0.559925460492} Si1 2 1
14 {} {0.606235493165 0.346492525143 0.46988923249} Si2 3 1
8 {} {0.573203344942 0.50268236482 0.509146428865} O2 4 1
8 {} {0.271653926642 0.365682392475 0.630222280092} O3 5 1
14 {} {0.236766383493 0.523395679679 0.660802064295} Si3 6 1
14 {} {0.570886521998 0.657106558135 0.450180035755} Si4 7 1
1 {} {0.338190586272 0.123059892997 0.66360753588} H1 8 1
1 {} {0.231245506558 0.183963739806 0.453624852947} H2 9 1
1 {} {0.648015758561 0.335318031678 0.326741078565} H3 10 1
1 {} {0.713247259996 0.293979697681 0.559430229102} H4 11 1
1 {} {0.137054620281 0.526884566116 0.769364368668} H5 12 1
1 {} {0.363269118222 0.591944484895 0.694685888391} H6 13 1
1 {} {0.500397014111 0.744718915774 0.547559468659} H7 14 1
1 {} {0.492896212731 0.655026758804 0.322430418459} H8 15 1
1 {} {0.710199288259 0.707417893298 0.427870276649} H10 16 1
8 {} {0.175122953461 0.60425430317 0.530193257059} O 17 1
1 {} {0.242592758033 0.627734849066 0.464143554869} 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