./iterations/neb0_image01_iter31.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467893402662 0.24179963437 0.471928049363} O1 1 1
14 {} {0.328485369684 0.249563784768 0.558286756727} Si1 2 1
14 {} {0.599422155164 0.331347514946 0.431162299699} Si2 3 1
8 {} {0.552315928512 0.476054342784 0.368185902172} O2 4 1
8 {} {0.333323563851 0.379598447718 0.658978867447} O3 5 1
14 {} {0.26746233825 0.515318126562 0.724240702103} Si3 6 1
14 {} {0.529546060476 0.639190195248 0.372740493735} Si4 7 1
1 {} {0.318099928471 0.124959869638 0.639377622221} H1 8 1
1 {} {0.214128104852 0.260996244017 0.463381463098} H2 9 1
1 {} {0.672943428672 0.25198225678 0.329530840736} H3 10 1
1 {} {0.684241191451 0.350833301827 0.552182683013} H4 11 1
1 {} {0.122935795419 0.491754423657 0.745462981944} H5 12 1
1 {} {0.341367634132 0.536631372197 0.85214935689} H6 13 1
1 {} {0.388344867736 0.676116906474 0.343662838101} H7 14 1
1 {} {0.615779231485 0.704898145603 0.269663147115} H8 15 1
1 {} {0.560804198813 0.688513743688 0.51095502951} H10 16 1
8 {} {0.269758177621 0.644459140907 0.62195781299} O 17 1
1 {} {0.343234758064 0.708500494306 0.61721114107} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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