./iterations/neb0_image03_iter283.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457816476727 0.262771259864 0.482670915959} O1 1 1
14 {} {0.3242806893 0.240922658746 0.575330200243} Si1 2 1
14 {} {0.589516108024 0.345767224019 0.431832015737} Si2 3 1
8 {} {0.54477069561 0.491643345398 0.372322526426} O2 4 1
8 {} {0.305084158692 0.36245616633 0.682852614539} O3 5 1
14 {} {0.250712049495 0.509301012104 0.732903931324} Si3 6 1
14 {} {0.56446129627 0.655798928674 0.371237766286} Si4 7 1
1 {} {0.341793693712 0.114505542261 0.651024787014} H1 8 1
1 {} {0.207527830366 0.236116026879 0.483990619267} H2 9 1
1 {} {0.650772767865 0.268674063464 0.320724251616} H3 10 1
1 {} {0.68422283221 0.36432459304 0.545300406478} H4 11 1
1 {} {0.103672499377 0.500038824305 0.750864882069} H5 12 1
1 {} {0.319131869978 0.546728602619 0.858201640185} H6 13 1
1 {} {0.429857917987 0.71798830065 0.361237073588} H7 14 1
1 {} {0.645326559696 0.695275999733 0.250132457876} H8 15 1
1 {} {0.632390736008 0.700757451233 0.497026799045} H10 16 1
8 {} {0.294864766096 0.630133011592 0.628081429929} O 17 1
1 {} {0.263883134183 0.629314988067 0.53532326605} 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