iterations/neb0_image08_iter228.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 {} {0.472107064702 0.225226907923 0.49320915244} O1 1 1
14 {} {0.33077023854 0.218754308071 0.57660133861} Si1 2 1
14 {} {0.61369119967 0.29698150382 0.45141666781} Si2 3 1
8 {} {0.593049778245 0.456656942513 0.417947659576} O2 4 1
8 {} {0.313074406993 0.349047052032 0.676249278265} O3 5 1
14 {} {0.300394344857 0.51337058988 0.668972892756} Si3 6 1
14 {} {0.5118533819 0.596352907662 0.44830796485} Si4 7 1
1 {} {0.331802859961 0.0969962685452 0.66150798209} H1 8 1
1 {} {0.21937423602 0.215789374293 0.477890869858} H2 9 1
1 {} {0.663267731366 0.230225980349 0.328269881259} H3 10 1
1 {} {0.710311885658 0.284303978701 0.56456830768} H4 11 1
1 {} {0.157409904876 0.553128677457 0.659172460323} H5 12 1
1 {} {0.365977494421 0.568513280955 0.790890600033} H6 13 1
1 {} {0.310902694985 0.909806735748 0.47475534473} H7 14 1
1 {} {0.471878526403 0.653462050785 0.317072383365} H8 15 1
1 {} {0.599685083059 0.686702579778 0.527353536568} H10 16 1
8 {} {0.374421008094 0.570160238904 0.533766561575} O 17 1
1 {} {0.270114423236 0.847038491783 0.463104836982} 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