iterations/neb0_image03_iter120.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.465979452395 0.240721945785 0.486280162231} O1 1 1
14 {} {0.328701949924 0.235570636131 0.575690676147} Si1 2 1
14 {} {0.58713587551 0.338806115967 0.433973452179} Si2 3 1
8 {} {0.526482433574 0.482524095986 0.384405354321} O2 4 1
8 {} {0.32131903525 0.361479263014 0.680770191053} O3 5 1
14 {} {0.269600806959 0.512743599926 0.715224912314} Si3 6 1
14 {} {0.539300882873 0.647220975685 0.379424084983} Si4 7 1
1 {} {0.330817865041 0.109573387052 0.655025923899} H1 8 1
1 {} {0.210511174019 0.239523549798 0.484733125395} H2 9 1
1 {} {0.649877949338 0.270236585675 0.318206685157} H3 10 1
1 {} {0.683237644174 0.361289949957 0.545822853642} H4 11 1
1 {} {0.121053385938 0.515303674938 0.72306725884} H5 12 1
1 {} {0.331620016237 0.553540029886 0.844059930723} H6 13 1
1 {} {0.40609483183 0.710922916424 0.352090988574} H7 14 1
1 {} {0.631216266785 0.681926853706 0.266388516447} H8 15 1
1 {} {0.594983399178 0.701050394497 0.507093722491} H10 16 1
8 {} {0.321412966349 0.609052358273 0.590510270869} O 17 1
1 {} {0.29074020221 0.701031665178 0.588289829296} 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