./iterations/neb0_image08_iter271.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 {} {0.473770644249 0.216778184543 0.493540204099} O1 1 1
14 {} {0.332854478361 0.216144179152 0.578371759038} Si1 2 1
14 {} {0.612855965309 0.29461684569 0.453460519396} Si2 3 1
8 {} {0.587715833248 0.454532323367 0.427227054883} O2 4 1
8 {} {0.315331282692 0.352018993037 0.669634589574} O3 5 1
14 {} {0.298131963024 0.515957028494 0.661455195838} Si3 6 1
14 {} {0.508319386157 0.596558681008 0.444506493632} Si4 7 1
1 {} {0.33461925484 0.100412192591 0.672156958974} H1 8 1
1 {} {0.221342120785 0.207023698488 0.479079915926} H2 9 1
1 {} {0.66354404672 0.234431570399 0.327223001393} H3 10 1
1 {} {0.710922532184 0.277705146851 0.564733848935} H4 11 1
1 {} {0.153880760821 0.550683604227 0.658945518681} H5 12 1
1 {} {0.367909635703 0.572327030729 0.779960763229} H6 13 1
1 {} {0.314470946942 0.917222451122 0.475239144851} H7 14 1
1 {} {0.474685010431 0.651020430641 0.311225052905} H8 15 1
1 {} {0.594828904429 0.688495393217 0.522264931746} H10 16 1
8 {} {0.36488690679 0.574251338226 0.523427138857} O 17 1
1 {} {0.280016506767 0.852338782992 0.488605658066} 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