./iterations/neb0_image04_iter24.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 {} {0.470030211445 0.227324106566 0.482389363288} O1 1 1
14 {} {0.332184341168 0.238430176228 0.57360561872} Si1 2 1
14 {} {0.596547830596 0.323795890038 0.436641488829} Si2 3 1
8 {} {0.540416653797 0.477625020227 0.389903306244} O2 4 1
8 {} {0.331726458558 0.375891616204 0.660392641628} O3 5 1
14 {} {0.276767880186 0.522730095616 0.702655538755} Si3 6 1
14 {} {0.509598245265 0.644418749409 0.4028139216} Si4 7 1
1 {} {0.329660467692 0.115150159428 0.661613031243} H1 8 1
1 {} {0.215093367567 0.234855669336 0.478932286359} H2 9 1
1 {} {0.665506452005 0.242494045093 0.328005738108} H3 10 1
1 {} {0.693072723089 0.330291058093 0.553321961565} H4 11 1
1 {} {0.132076832127 0.51497778472 0.707472506737} H5 12 1
1 {} {0.340661005885 0.555508581749 0.827597167601} H6 13 1
1 {} {0.381695986253 0.745552747837 0.391875429997} H7 14 1
1 {} {0.567344903849 0.690085865915 0.27444444652} H8 15 1
1 {} {0.583246022376 0.678412591091 0.526147606214} H10 16 1
8 {} {0.327328545825 0.632401971565 0.578695405333} O 17 1
1 {} {0.317128205368 0.722571833524 0.554550550587} 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