./iterations/neb0_image08_iter14.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 {} {0.470473551012 0.21986111896 0.491164852206} O1 1 1
14 {} {0.334600729521 0.221118420521 0.5819376792} Si1 2 1
14 {} {0.603816809271 0.303646005447 0.442052211197} Si2 3 1
8 {} {0.559919635371 0.455209718871 0.394091835498} O2 4 1
8 {} {0.32859413422 0.358123599494 0.674659810645} O3 5 1
14 {} {0.292551757613 0.519016163761 0.675291803507} Si3 6 1
14 {} {0.499285735001 0.602782931775 0.446404491175} Si4 7 1
1 {} {0.338545682296 0.107961072586 0.677274314142} H1 8 1
1 {} {0.216807389491 0.216560622481 0.490654530357} H2 9 1
1 {} {0.661684350114 0.230301242374 0.326307035696} H3 10 1
1 {} {0.700687343661 0.313898125104 0.5554176668} H4 11 1
1 {} {0.139017863387 0.525011740358 0.678291247953} H5 12 1
1 {} {0.344855543449 0.565435385031 0.811226682261} H6 13 1
1 {} {0.328793426367 0.850036140043 0.41530873391} H7 14 1
1 {} {0.508474355108 0.680168243689 0.311301041422} H8 15 1
1 {} {0.602469460019 0.670451107308 0.530935396979} H10 16 1
8 {} {0.364351510289 0.596922978452 0.542695976792} O 17 1
1 {} {0.315156871648 0.836013346682 0.486042693859} 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