iterations/neb0_image09_iter135.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472152988024 0.214843726576 0.494251088795} O1 1 1
14 {} {0.334728732426 0.216183724595 0.584761558625} Si1 2 1
14 {} {0.603842813064 0.299177140697 0.444483893872} Si2 3 1
8 {} {0.563276486802 0.452513530447 0.400280425536} O2 4 1
8 {} {0.326532103315 0.35201803298 0.677190829457} O3 5 1
14 {} {0.297688804237 0.514265549923 0.671133092514} Si3 6 1
14 {} {0.508498253354 0.598541050487 0.451492254152} Si4 7 1
1 {} {0.338252546929 0.0996988282106 0.676467921846} H1 8 1
1 {} {0.217773564488 0.211000495614 0.492573733325} H2 9 1
1 {} {0.659032839933 0.230486225322 0.325194409497} H3 10 1
1 {} {0.702614628072 0.306461516802 0.555964942901} H4 11 1
1 {} {0.15184025043 0.539371175931 0.656720952879} H5 12 1
1 {} {0.352598118572 0.573228147522 0.796131213418} H6 13 1
1 {} {0.322033943704 0.887498825981 0.417216593708} H7 14 1
1 {} {0.474805666316 0.677579798664 0.330827539005} H8 15 1
1 {} {0.612595258642 0.664719641353 0.535563217587} H10 16 1
8 {} {0.371003081558 0.581781411848 0.540761442264} O 17 1
1 {} {0.300816063012 0.853149140393 0.480042816815} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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