iterations/neb0_image05_iter46.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.46937658055 0.225550821888 0.48286234559} O1 1 1
14 {} {0.332921578933 0.229962824367 0.56953942068} Si1 2 1
14 {} {0.590624521481 0.329344191697 0.440885787254} Si2 3 1
8 {} {0.527700144757 0.475597682485 0.40891010576} O2 4 1
8 {} {0.334987330122 0.365256700346 0.66210797328} O3 5 1
14 {} {0.285863237335 0.520890736823 0.689627493259} Si3 6 1
14 {} {0.501641492568 0.639984962776 0.430003286176} Si4 7 1
1 {} {0.33073767229 0.117788497808 0.664165140239} H1 8 1
1 {} {0.21392500452 0.232912653997 0.481530551222} H2 9 1
1 {} {0.65599582207 0.261953618065 0.326767189624} H3 10 1
1 {} {0.689583062613 0.33664724893 0.551012615771} H4 11 1
1 {} {0.134258468617 0.532370276226 0.692955822573} H5 12 1
1 {} {0.343215590365 0.568322439418 0.821271309791} H6 13 1
1 {} {0.390731107316 0.760746860123 0.422684765134} H7 14 1
1 {} {0.532710686064 0.683712895676 0.290568531455} H8 15 1
1 {} {0.595724372284 0.690034902406 0.533285475288} H10 16 1
8 {} {0.350070820913 0.606404548532 0.561115694865} O 17 1
1 {} {0.330018626881 0.695036093651 0.50176446537} 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