./iterations/neb0_image06_iter129.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 {} {0.470145517172 0.228606460798 0.488666322005} O1 1 1
14 {} {0.329040685978 0.224524431629 0.572740105323} Si1 2 1
14 {} {0.602186355596 0.319325336391 0.449815465361} Si2 3 1
8 {} {0.564847458593 0.475189355637 0.423264710022} O2 4 1
8 {} {0.319857641929 0.354278170125 0.673748549179} O3 5 1
14 {} {0.290860957142 0.51562916293 0.664427638548} Si3 6 1
14 {} {0.491846127757 0.619761173282 0.445159915008} Si4 7 1
1 {} {0.330341680142 0.102425467622 0.657032971343} H1 8 1
1 {} {0.214082557193 0.22329628322 0.476675916101} H2 9 1
1 {} {0.656261632721 0.262434206232 0.323360972265} H3 10 1
1 {} {0.701985955886 0.318582151333 0.561118037235} H4 11 1
1 {} {0.143328586202 0.535538832427 0.680239215041} H5 12 1
1 {} {0.364539130754 0.581264580354 0.77593445068} H6 13 1
1 {} {0.38567225035 0.803993007728 0.478140149441} H7 14 1
1 {} {0.480994604603 0.678411882205 0.307695450622} H8 15 1
1 {} {0.589703927691 0.69898091903 0.52865925412} H10 16 1
8 {} {0.34489840505 0.571966800073 0.518336281988} O 17 1
1 {} {0.329492604601 0.75830967634 0.506042578192} 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
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2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
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7 1 0 0
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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
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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