iterations/neb0_image08_iter138.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 {} {0.471044440534 0.223509749225 0.491782796236} O1 1 1
14 {} {0.330666681802 0.220692657751 0.577113439629} Si1 2 1
14 {} {0.607425389418 0.303989500247 0.447086372103} Si2 3 1
8 {} {0.576008939882 0.460061087521 0.405300105823} O2 4 1
8 {} {0.322686390471 0.349268552664 0.679672175329} O3 5 1
14 {} {0.301647471188 0.512738595336 0.674004681148} Si3 6 1
14 {} {0.509671435529 0.60252631592 0.453137080768} Si4 7 1
1 {} {0.327984581254 0.0963963026966 0.657774878538} H1 8 1
1 {} {0.216645154712 0.225192152519 0.481361058831} H2 9 1
1 {} {0.662209762212 0.233629882166 0.328820722634} H3 10 1
1 {} {0.703281691993 0.304884891806 0.560790887788} H4 11 1
1 {} {0.156787488395 0.54452641649 0.661354911977} H5 12 1
1 {} {0.360717091297 0.568457566214 0.798693893002} H6 13 1
1 {} {0.328792961719 0.873866991767 0.439761169811} H7 14 1
1 {} {0.46746962557 0.675824946837 0.331396123076} H8 15 1
1 {} {0.608199014646 0.680061390261 0.534172856501} H10 16 1
8 {} {0.375347788266 0.577639508944 0.543572814622} O 17 1
1 {} {0.283500289749 0.81925144093 0.465261911735} 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