iterations/neb0_image05_iter208.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.473884728294 0.244746993532 0.48898717699} O1 1 1
14 {} {0.327304424014 0.227610219464 0.561499521664} Si1 2 1
14 {} {0.602479155569 0.343369744527 0.467843507735} Si2 3 1
8 {} {0.559651839779 0.499389311619 0.500209212557} O2 4 1
8 {} {0.27976999725 0.363831701825 0.638140478398} O3 5 1
14 {} {0.24290712209 0.522733318028 0.662868141441} Si3 6 1
14 {} {0.56570584185 0.654191217018 0.443919900453} Si4 7 1
1 {} {0.338786487704 0.118654386506 0.661472833477} H1 8 1
1 {} {0.226527592038 0.19092765268 0.458169233226} H2 9 1
1 {} {0.645337570839 0.336992636757 0.325824917773} H3 10 1
1 {} {0.710296892521 0.306267355419 0.562904820767} H4 11 1
1 {} {0.133916803073 0.521955716091 0.767423613997} H5 12 1
1 {} {0.367612367106 0.596439303395 0.702903781889} H6 13 1
1 {} {0.479096568935 0.730428853943 0.540613318884} H7 14 1
1 {} {0.508423821663 0.663809678653 0.305054574446} H8 15 1
1 {} {0.706242074397 0.705800450111 0.43845778264} H10 16 1
8 {} {0.184480697993 0.597283043704 0.526191588745} O 17 1
1 {} {0.257662021942 0.648086409598 0.478573768161} 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