./iterations/neb0_image07_iter31.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469565089975 0.22402648075 0.483579742698} O1 1 1
14 {} {0.332930167843 0.228616454894 0.573560354583} Si1 2 1
14 {} {0.599003316436 0.315629877966 0.439789008311} Si2 3 1
8 {} {0.546766041762 0.463916852248 0.398718388123} O2 4 1
8 {} {0.331980685424 0.362459926815 0.669427692832} O3 5 1
14 {} {0.29495903496 0.52021162231 0.678201311573} Si3 6 1
14 {} {0.500064389992 0.613077593605 0.44938735856} Si4 7 1
1 {} {0.330806386152 0.109627835394 0.662460486367} H1 8 1
1 {} {0.216067830836 0.231823641741 0.481058170678} H2 9 1
1 {} {0.665021579208 0.241885660016 0.327669677914} H3 10 1
1 {} {0.694657198919 0.327074882745 0.553945387086} H4 11 1
1 {} {0.146705579007 0.524847834257 0.691898840952} H5 12 1
1 {} {0.342599385611 0.561503953002 0.811963665111} H6 13 1
1 {} {0.340850489972 0.806933235365 0.418217853501} H7 14 1
1 {} {0.505782783704 0.679789817092 0.317697057463} H8 15 1
1 {} {0.596730849269 0.678971776221 0.536866641594} H10 16 1
8 {} {0.365495614761 0.590964611291 0.54767768282} O 17 1
1 {} {0.33009972833 0.791155910476 0.48893867598} 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