./iterations/neb0_image09_iter34.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 {} {0.471943812975 0.213789601931 0.494442062672} O1 1 1
14 {} {0.335802838392 0.217096205433 0.587114759579} Si1 2 1
14 {} {0.60260367221 0.29865261599 0.444826155974} Si2 3 1
8 {} {0.558424781784 0.451232744099 0.40187456557} O2 4 1
8 {} {0.32920238644 0.355401536361 0.673960595799} O3 5 1
14 {} {0.29620651127 0.51674188787 0.668693955016} Si3 6 1
14 {} {0.50745455257 0.599038862901 0.450150266356} Si4 7 1
1 {} {0.341803787357 0.104564106924 0.683186601091} H1 8 1
1 {} {0.218066313329 0.208234002998 0.496687799156} H2 9 1
1 {} {0.658429239657 0.229845965275 0.32607500872} H3 10 1
1 {} {0.702606743937 0.30791688391 0.55475219861} H4 11 1
1 {} {0.149387139238 0.536111675034 0.659691390886} H5 12 1
1 {} {0.347450075639 0.574594366659 0.795458405773} H6 13 1
1 {} {0.323348670973 0.879723135574 0.412120394145} H7 14 1
1 {} {0.482632336047 0.675043915582 0.325393258493} H8 15 1
1 {} {0.610449079953 0.66563848065 0.536304562298} H10 16 1
8 {} {0.367406050689 0.585352919114 0.537912083636} O 17 1
1 {} {0.306868173063 0.853539037377 0.48241393101} 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