iterations/neb0_image04_iter43.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.469606017503 0.229574439767 0.482534916246} O1 1 1
14 {} {0.333096098798 0.234968242978 0.570794383511} Si1 2 1
14 {} {0.589667988522 0.331541966755 0.437870569266} Si2 3 1
8 {} {0.523531100752 0.476131138725 0.399663584542} O2 4 1
8 {} {0.333216764849 0.372900486178 0.660214656048} O3 5 1
14 {} {0.278356507467 0.520795947876 0.698602614271} Si3 6 1
14 {} {0.521129421921 0.642461577086 0.403446596949} Si4 7 1
1 {} {0.331115536118 0.119958855173 0.663838956928} H1 8 1
1 {} {0.214453756445 0.233120413109 0.48166096496} H2 9 1
1 {} {0.655834949599 0.261746575825 0.326845432448} H3 10 1
1 {} {0.687174679408 0.339684790765 0.548034375932} H4 11 1
1 {} {0.128180914901 0.525404192983 0.703699221217} H5 12 1
1 {} {0.340175519426 0.564153086526 0.828361658308} H6 13 1
1 {} {0.393910178873 0.725709617004 0.402752437209} H7 14 1
1 {} {0.572056151463 0.687289960008 0.272310747643} H8 15 1
1 {} {0.591757586614 0.688120294668 0.526511688878} H10 16 1
8 {} {0.334856892676 0.615004246202 0.577228343428} O 17 1
1 {} {0.311966064181 0.70395213534 0.546686865851} 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