iterations/neb0_image06_iter77.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 {} {0.468737741329 0.222533730803 0.487377117503} O1 1 1
14 {} {0.330948395539 0.225537193552 0.577100380591} Si1 2 1
14 {} {0.594067676851 0.319461012916 0.443544143321} Si2 3 1
8 {} {0.541815644595 0.468425081511 0.408310675678} O2 4 1
8 {} {0.326805012218 0.355191211186 0.677925563615} O3 5 1
14 {} {0.295648777902 0.516668011198 0.679918912014} Si3 6 1
14 {} {0.498905097831 0.620365853588 0.449450908003} Si4 7 1
1 {} {0.327691079676 0.105255994875 0.663042782542} H1 8 1
1 {} {0.216134339913 0.231558797065 0.483384236764} H2 9 1
1 {} {0.655897248688 0.268653188607 0.318883899895} H3 10 1
1 {} {0.688805233756 0.333627997312 0.557169833509} H4 11 1
1 {} {0.148254818126 0.539538580086 0.674477900564} H5 12 1
1 {} {0.350179487822 0.569977154214 0.808161869471} H6 13 1
1 {} {0.368686720777 0.78712798501 0.427047147125} H7 14 1
1 {} {0.504832718473 0.680772542779 0.311779423943} H8 15 1
1 {} {0.598355532841 0.693053952556 0.533520619972} H10 16 1
8 {} {0.365516654807 0.588059342868 0.549365585601} O 17 1
1 {} {0.328803926098 0.746710331511 0.480596987821} 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