iterations/neb0_image08_iter268.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 {} {0.473488990116 0.21891485816 0.493602977825} O1 1 1
14 {} {0.332347508266 0.216401902585 0.578024504656} Si1 2 1
14 {} {0.613094712321 0.294704464249 0.453190232732} Si2 3 1
8 {} {0.588206051171 0.454806175389 0.426348163842} O2 4 1
8 {} {0.315755429462 0.351881466469 0.67000722497} O3 5 1
14 {} {0.298846920607 0.515723608449 0.662655185769} Si3 6 1
14 {} {0.508748064551 0.596600753388 0.445098216318} Si4 7 1
1 {} {0.334223078446 0.0996352692659 0.670144456524} H1 8 1
1 {} {0.221121024546 0.208432861328 0.478852506545} H2 9 1
1 {} {0.663494070414 0.232954674357 0.327317809106} H3 10 1
1 {} {0.711003062304 0.278692656684 0.56482808458} H4 11 1
1 {} {0.154442401258 0.551446725223 0.658291683639} H5 12 1
1 {} {0.36795852154 0.571545863528 0.782422035697} H6 13 1
1 {} {0.31382677201 0.915920025994 0.474789060322} H7 14 1
1 {} {0.473656141851 0.651745598534 0.312057937372} H8 15 1
1 {} {0.59544385482 0.688074468081 0.523602825337} H10 16 1
8 {} {0.36622979972 0.573420881396 0.525201198894} O 17 1
1 {} {0.278199790949 0.8516156284 0.484623635496} 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