./iterations/neb0_image04_iter264.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 {} {0.468162262501 0.262559697176 0.491718252905} O1 1 1
14 {} {0.326467549174 0.230305661991 0.566959676652} Si1 2 1
14 {} {0.600050846299 0.348389799892 0.447961641587} Si2 3 1
8 {} {0.561008372645 0.5049818898 0.428405190304} O2 4 1
8 {} {0.28159709508 0.349171859003 0.671112057708} O3 5 1
14 {} {0.238175852179 0.503922160154 0.699849027958} Si3 6 1
14 {} {0.583964064779 0.664990116017 0.401269364638} Si4 7 1
1 {} {0.344115164142 0.106214454041 0.648348798276} H1 8 1
1 {} {0.219028675357 0.214210375935 0.464731227217} H2 9 1
1 {} {0.648231438203 0.292660496255 0.319952509878} H3 10 1
1 {} {0.700787328838 0.336556988184 0.555621323815} H4 11 1
1 {} {0.106651980546 0.504922124758 0.76987266206} H5 12 1
1 {} {0.342729939797 0.565260745412 0.786681451272} H6 13 1
1 {} {0.461828764231 0.74058735474 0.440995347712} H7 14 1
1 {} {0.612120152411 0.687879864995 0.256696745274} H8 15 1
1 {} {0.698976289115 0.715093470308 0.481867968419} H10 16 1
8 {} {0.22980605556 0.579023319729 0.551797670716} O 17 1
1 {} {0.186384111589 0.665787408763 0.547217371295} 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