./iterations/neb0_image04_iter32.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 {} {0.470007851995 0.228672137606 0.483325667667} O1 1 1
14 {} {0.332950391793 0.235917648033 0.571961681245} Si1 2 1
14 {} {0.591882537648 0.33031054703 0.436355153962} Si2 3 1
8 {} {0.53107933873 0.478484858973 0.396105196027} O2 4 1
8 {} {0.33287776773 0.376312120314 0.658463165486} O3 5 1
14 {} {0.278428581103 0.523816138445 0.697990096185} Si3 6 1
14 {} {0.512536869751 0.646080458184 0.40359177143} Si4 7 1
1 {} {0.330386766516 0.117815186146 0.662271010816} H1 8 1
1 {} {0.21600061221 0.233579760176 0.481507518041} H2 9 1
1 {} {0.661520020666 0.249510996583 0.328776997363} H3 10 1
1 {} {0.690539424961 0.332543690966 0.550270681941} H4 11 1
1 {} {0.131023322882 0.520646336671 0.705046468735} H5 12 1
1 {} {0.340310284201 0.560478392325 0.827128793436} H6 13 1
1 {} {0.390707661815 0.733286937567 0.401308564129} H7 14 1
1 {} {0.567967687376 0.688350703215 0.272407590444} H8 15 1
1 {} {0.585434560957 0.681522162925 0.526760272314} H10 16 1
8 {} {0.331350151922 0.622303783279 0.578112200304} O 17 1
1 {} {0.315082298615 0.712886105386 0.549675181744} 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