./iterations/neb0_image04_iter296.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 {} {0.469676194092 0.26056631861 0.490800005262} O1 1 1
14 {} {0.327152678898 0.232834093358 0.566278914127} Si1 2 1
14 {} {0.603774022719 0.34613243913 0.451292844433} Si2 3 1
8 {} {0.564974565239 0.505087469371 0.443333371222} O2 4 1
8 {} {0.281263001363 0.354296874147 0.665225422764} O3 5 1
14 {} {0.23190711074 0.508048712701 0.69489986016} Si3 6 1
14 {} {0.590044003493 0.663575302923 0.407403322902} Si4 7 1
1 {} {0.34334489376 0.112091486376 0.652620167592} H1 8 1
1 {} {0.225743046125 0.208624009508 0.457559708337} H2 9 1
1 {} {0.651794364344 0.297363598214 0.319243300156} H3 10 1
1 {} {0.706048140678 0.324955232643 0.55694971118} H4 11 1
1 {} {0.1102786912 0.500297372719 0.781637497388} H5 12 1
1 {} {0.341994561774 0.579911848014 0.765193616495} H6 13 1
1 {} {0.475281521378 0.743498604139 0.45795448388} H7 14 1
1 {} {0.602119400054 0.682415618911 0.259406807929} H8 15 1
1 {} {0.715841434097 0.709574407726 0.472972646876} H10 16 1
8 {} {0.196520826451 0.574725561266 0.547219985938} O 17 1
1 {} {0.172327462495 0.668518774594 0.541066701286} 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