iterations/neb0_image08_iter251.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 {} {0.472751020019 0.222793597169 0.493753644181} O1 1 1
14 {} {0.331779723974 0.21772593271 0.576877407451} Si1 2 1
14 {} {0.613631120439 0.29514970067 0.452706456886} Si2 3 1
8 {} {0.590649438727 0.454853994981 0.423152457265} O2 4 1
8 {} {0.31504325127 0.350462584941 0.6728164467} O3 5 1
14 {} {0.299810849651 0.514259858479 0.665820610652} Si3 6 1
14 {} {0.510319414797 0.596011139557 0.446658442471} Si4 7 1
1 {} {0.333030934811 0.0985916671435 0.665161665002} H1 8 1
1 {} {0.22045919383 0.211707908097 0.478296171942} H2 9 1
1 {} {0.663121995485 0.231417234937 0.328331079848} H3 10 1
1 {} {0.710687492767 0.281049884858 0.564451849527} H4 11 1
1 {} {0.156819418894 0.552862519318 0.658114548997} H5 12 1
1 {} {0.367033687047 0.569516258396 0.786480008663} H6 13 1
1 {} {0.312085063648 0.913842941122 0.474562908234} H7 14 1
1 {} {0.472041317153 0.652647763469 0.314235310404} H8 15 1
1 {} {0.597477043673 0.68786440138 0.525823633784} H10 16 1
8 {} {0.369856596757 0.5719306872 0.529017872602} O 17 1
1 {} {0.273488668469 0.849829810386 0.474797205666} 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
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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