iterations/neb0_image01_iter11.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467812497251 0.243934659636 0.4713217878} O1 1 1
14 {} {0.327203573284 0.250306659133 0.556156340229} Si1 2 1
14 {} {0.602340501144 0.329201352562 0.431911809887} Si2 3 1
8 {} {0.561135360052 0.475873428669 0.36544535116} O2 4 1
8 {} {0.331486709101 0.379579499281 0.658693486187} O3 5 1
14 {} {0.267047747088 0.512342434565 0.728340341607} Si3 6 1
14 {} {0.525481936901 0.636535138777 0.370651593643} Si4 7 1
1 {} {0.316564748301 0.12679445252 0.63787734303} H1 8 1
1 {} {0.21373066834 0.264642541645 0.461152250776} H2 9 1
1 {} {0.675403009479 0.248803960157 0.329965307579} H3 10 1
1 {} {0.684938117285 0.35034760174 0.554576850122} H4 11 1
1 {} {0.12110547866 0.487836480766 0.748205827652} H5 12 1
1 {} {0.341773071396 0.531066461293 0.856267758279} H6 13 1
1 {} {0.387959804798 0.684526596671 0.335357715254} H7 14 1
1 {} {0.613035245872 0.704374415259 0.271936213894} H8 15 1
1 {} {0.559167537956 0.689473660449 0.506923397313} H10 16 1
8 {} {0.271834751098 0.644197198275 0.630963953907} O 17 1
1 {} {0.342065376281 0.712681409971 0.615310666123} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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