iterations/neb0_image06_iter175.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.475700227689 0.225100571461 0.486270632234} O1 1 1
14 {} {0.331993858102 0.220920726545 0.566613479305} Si1 2 1
14 {} {0.608379924025 0.315450383586 0.453271121025} Si2 3 1
8 {} {0.569401541001 0.473490843076 0.449171647649} O2 4 1
8 {} {0.30481638832 0.354278496093 0.658958832081} O3 5 1
14 {} {0.285574840756 0.518197649242 0.657405083444} Si3 6 1
14 {} {0.484153146228 0.612043470978 0.445971320968} Si4 7 1
1 {} {0.338469565612 0.106455265475 0.66036699656} H1 8 1
1 {} {0.224030589798 0.205218414223 0.464062180016} H2 9 1
1 {} {0.661926865544 0.282806312194 0.31951319751} H3 10 1
1 {} {0.707970650044 0.294532770681 0.56129539746} H4 11 1
1 {} {0.143740700786 0.543490968115 0.696334935543} H5 12 1
1 {} {0.375378550527 0.58265298835 0.756391694782} H6 13 1
1 {} {0.392525776082 0.818417969785 0.517783516375} H7 14 1
1 {} {0.470517874949 0.65715085027 0.304166391471} H8 15 1
1 {} {0.579830050723 0.703813890077 0.516932639546} H10 16 1
8 {} {0.329804340777 0.576189167188 0.507693452121} O 17 1
1 {} {0.32587104321 0.782307090974 0.508855537179} 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