./iterations/neb0_image04_iter235.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 {} {0.465190856627 0.260023740223 0.490350459174} O1 1 1
14 {} {0.32503159157 0.229604861987 0.569457193492} Si1 2 1
14 {} {0.59562991546 0.348236607445 0.44680993963} Si2 3 1
8 {} {0.552444025178 0.503778814146 0.424249365242} O2 4 1
8 {} {0.288433419395 0.347410772105 0.676837768368} O3 5 1
14 {} {0.245867094343 0.503632512599 0.702700145898} Si3 6 1
14 {} {0.575022309223 0.664839516097 0.399728706795} Si4 7 1
1 {} {0.342717131105 0.103437498396 0.646343369055} H1 8 1
1 {} {0.217200097521 0.215075136122 0.467881751197} H2 9 1
1 {} {0.647220233813 0.290302028466 0.320509713242} H3 10 1
1 {} {0.698912644869 0.342802345953 0.553212164686} H4 11 1
1 {} {0.106273167034 0.513448503509 0.753164228975} H5 12 1
1 {} {0.3447515162 0.558905026917 0.799471981734} H6 13 1
1 {} {0.447559364712 0.737167154308 0.431079981588} H7 14 1
1 {} {0.614479893069 0.691044891735 0.257877791686} H8 15 1
1 {} {0.685581724378 0.715645172061 0.487708840122} H10 16 1
8 {} {0.25348562683 0.582089220408 0.556842444509} O 17 1
1 {} {0.204285366642 0.665074036541 0.546832356054} 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