./iterations/neb0_image04_iter260.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 {} {0.466778079025 0.261278581516 0.490750000758} O1 1 1
14 {} {0.325809134735 0.230242660286 0.568060326735} Si1 2 1
14 {} {0.598462573674 0.348083308005 0.447140885721} Si2 3 1
8 {} {0.556842182105 0.504641603789 0.426923378599} O2 4 1
8 {} {0.284411553595 0.348648904029 0.673140673302} O3 5 1
14 {} {0.24139141241 0.504216809995 0.700473814746} Si3 6 1
14 {} {0.580162807261 0.665412311379 0.401224161886} Si4 7 1
1 {} {0.343607721605 0.10575171428 0.648246475148} H1 8 1
1 {} {0.218147193184 0.214669006602 0.46588278747} H2 9 1
1 {} {0.648216297976 0.291298760465 0.319247075545} H3 10 1
1 {} {0.700176425706 0.33948429959 0.555066546117} H4 11 1
1 {} {0.106471935366 0.508265372723 0.763804894154} H5 12 1
1 {} {0.342950060532 0.562688129919 0.792270190203} H6 13 1
1 {} {0.45590000323 0.738032522522 0.436790678048} H7 14 1
1 {} {0.61283033158 0.689106384978 0.257450540623} H8 15 1
1 {} {0.693827746062 0.715104897944 0.48427704967} H10 16 1
8 {} {0.239962771121 0.580234473264 0.553293367916} O 17 1
1 {} {0.194137730421 0.665358071894 0.547015405987} 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