iterations/neb0_image03_iter65.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 {} {0.468368652651 0.231787080465 0.480329960903} O1 1 1
14 {} {0.330548717492 0.237725852102 0.569464409767} Si1 2 1
14 {} {0.590752608108 0.331637247298 0.434123697927} Si2 3 1
8 {} {0.530525510296 0.476079635633 0.387086392171} O2 4 1
8 {} {0.329028032275 0.370758371577 0.666239053055} O3 5 1
14 {} {0.272484753476 0.518505579274 0.708085626345} Si3 6 1
14 {} {0.528003576742 0.640866011443 0.38933789874} Si4 7 1
1 {} {0.328124249192 0.119628518959 0.659814247284} H1 8 1
1 {} {0.212851231436 0.240115870317 0.477674810403} H2 9 1
1 {} {0.658033643671 0.267635063685 0.318606389358} H3 10 1
1 {} {0.683060370073 0.352372048276 0.548984149975} H4 11 1
1 {} {0.123783626986 0.514653048314 0.720629685039} H5 12 1
1 {} {0.338155253149 0.560938393323 0.835181435608} H6 13 1
1 {} {0.390592231646 0.69448504162 0.371916805021} H7 14 1
1 {} {0.608231019741 0.689624620458 0.274024214825} H8 15 1
1 {} {0.592688678827 0.692076625204 0.51451250923} H10 16 1
8 {} {0.315571423815 0.618114908548 0.584460234649} O 17 1
1 {} {0.309282533599 0.715514038033 0.590586479941} 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