./iterations/neb0_image08_iter183.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 {} {0.470973543012 0.227859305025 0.493230765661} O1 1 1
14 {} {0.329968468533 0.220639982866 0.576715147058} Si1 2 1
14 {} {0.611977241078 0.299797588042 0.450006502367} Si2 3 1
8 {} {0.589185054283 0.458033987596 0.411946508474} O2 4 1
8 {} {0.313934323891 0.347930368844 0.679993707427} O3 5 1
14 {} {0.300668059718 0.511961655388 0.672224023809} Si3 6 1
14 {} {0.512399527634 0.598034035319 0.450022331702} Si4 7 1
1 {} {0.330783325421 0.0973208372138 0.658922117097} H1 8 1
1 {} {0.218312276605 0.221697704822 0.478186917607} H2 9 1
1 {} {0.663309309557 0.230985236991 0.329013065507} H3 10 1
1 {} {0.708064447416 0.290840633332 0.563492137599} H4 11 1
1 {} {0.157458501355 0.549513733003 0.661625599753} H5 12 1
1 {} {0.36326074598 0.567805731844 0.794599540175} H6 13 1
1 {} {0.315242788934 0.896475147268 0.467598973631} H7 14 1
1 {} {0.469875750592 0.663755728757 0.324103922084} H8 15 1
1 {} {0.605428926591 0.684244813008 0.527631633885} H10 16 1
8 {} {0.377154578376 0.56887282696 0.538892751072} O 17 1
1 {} {0.272089391013 0.836748555138 0.452852148764} 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