./iterations/neb0_image08_iter211.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471978142072 0.225772940731 0.493156238786} O1 1 1
14 {} {0.330430856326 0.218592211373 0.576592458946} Si1 2 1
14 {} {0.613388694727 0.297381032027 0.451199054138} Si2 3 1
8 {} {0.592893283351 0.45719735584 0.416521298786} O2 4 1
8 {} {0.313229793666 0.348612577903 0.676924675308} O3 5 1
14 {} {0.300397993009 0.513202803729 0.670081175901} Si3 6 1
14 {} {0.512086388344 0.596671907961 0.448937691183} Si4 7 1
1 {} {0.331169690126 0.0961779482125 0.66063378293} H1 8 1
1 {} {0.219055868121 0.217310121663 0.477667913081} H2 9 1
1 {} {0.663474753954 0.230470217486 0.327892680048} H3 10 1
1 {} {0.709913899196 0.285688877491 0.564748576461} H4 11 1
1 {} {0.157376435588 0.552858426104 0.659162208693} H5 12 1
1 {} {0.366111362108 0.568414686876 0.792047026186} H6 13 1
1 {} {0.31134855943 0.90744276755 0.473467268552} H7 14 1
1 {} {0.470916924646 0.655178653919 0.317832043606} H8 15 1
1 {} {0.601162063347 0.686518785762 0.528122183753} H10 16 1
8 {} {0.375035118043 0.569662441995 0.535188354249} O 17 1
1 {} {0.270116437116 0.845364112796 0.460883090029} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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