iterations/neb0_image08_iter130.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 {} {0.470773840653 0.221519816638 0.490307999556} O1 1 1
14 {} {0.331290382867 0.220501664419 0.576823870975} Si1 2 1
14 {} {0.605794445617 0.304898529731 0.446156396381} Si2 3 1
8 {} {0.570251792649 0.459411769158 0.403290644682} O2 4 1
8 {} {0.324431591926 0.349999597048 0.679214086686} O3 5 1
14 {} {0.300385910523 0.512656238332 0.675705759481} Si3 6 1
14 {} {0.508904207837 0.603902440354 0.453355391693} Si4 7 1
1 {} {0.328368318721 0.0976837029373 0.659700497225} H1 8 1
1 {} {0.216193537725 0.226228238212 0.482387569399} H2 9 1
1 {} {0.66231912341 0.236131333661 0.326991908351} H3 10 1
1 {} {0.70211552156 0.310275068581 0.560453135598} H4 11 1
1 {} {0.154989483387 0.541812472711 0.663990226378} H5 12 1
1 {} {0.358284054164 0.568710878454 0.800754963108} H6 13 1
1 {} {0.331416499684 0.86542966549 0.431069487184} H7 14 1
1 {} {0.471604014106 0.67792352599 0.330655435094} H8 15 1
1 {} {0.60895634268 0.678516077921 0.535469101312} H10 16 1
8 {} {0.373724274005 0.579891231778 0.543730073931} O 17 1
1 {} {0.290282843961 0.817025718671 0.471001369627} 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