iterations/neb0_image04_iter107.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467462769098 0.235218098447 0.490364670053} O1 1 1
14 {} {0.328492118468 0.228068192114 0.577143688365} Si1 2 1
14 {} {0.58325130742 0.341124659044 0.441522803619} Si2 3 1
8 {} {0.519291805698 0.48648742832 0.403310860342} O2 4 1
8 {} {0.321020049009 0.355607219671 0.681624248971} O3 5 1
14 {} {0.278377418001 0.513055234179 0.701243044544} Si3 6 1
14 {} {0.530956587635 0.65206721133 0.400374423279} Si4 7 1
1 {} {0.33015297167 0.101752962143 0.655744413555} H1 8 1
1 {} {0.210642069004 0.232280888263 0.485572050769} H2 9 1
1 {} {0.643857885376 0.28361419666 0.319534678382} H3 10 1
1 {} {0.683995887916 0.352014265353 0.551113268821} H4 11 1
1 {} {0.130662009357 0.531756236927 0.692865919194} H5 12 1
1 {} {0.342219307444 0.559717827145 0.826723870151} H6 13 1
1 {} {0.406268171855 0.735230346093 0.394942530344} H7 14 1
1 {} {0.594023259955 0.682596068515 0.270026157938} H8 15 1
1 {} {0.606200406137 0.701893304643 0.51775283296} H10 16 1
8 {} {0.34206994269 0.602500279509 0.578305719057} O 17 1
1 {} {0.291142124615 0.677533520272 0.542892810289} 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