iterations/neb0_image06_iter152.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.472031259389 0.232747887117 0.483446664119} O1 1 1
14 {} {0.3329761878 0.221524628561 0.568136625642} Si1 2 1
14 {} {0.608834992836 0.317389113835 0.451045520457} Si2 3 1
8 {} {0.572669957738 0.475207689414 0.43911793398} O2 4 1
8 {} {0.306274108346 0.353305007433 0.664637903182} O3 5 1
14 {} {0.283779993283 0.515720819108 0.659317754494} Si3 6 1
14 {} {0.484586232463 0.610655618553 0.446087126165} Si4 7 1
1 {} {0.333959323625 0.105482021279 0.661879745377} H1 8 1
1 {} {0.223247575972 0.213247460012 0.467648734118} H2 9 1
1 {} {0.66115122117 0.278680112133 0.319015952614} H3 10 1
1 {} {0.705206379672 0.303994955454 0.561742552474} H4 11 1
1 {} {0.138981800918 0.53884156184 0.697018052757} H5 12 1
1 {} {0.372159079355 0.587495262867 0.753977408788} H6 13 1
1 {} {0.395858687823 0.814418543546 0.508517555366} H7 14 1
1 {} {0.472322077619 0.660384222052 0.307080181974} H8 15 1
1 {} {0.582377454768 0.69952448777 0.521093524996} H10 16 1
8 {} {0.331843970172 0.570563887483 0.510735986984} O 17 1
1 {} {0.331825666011 0.773334561699 0.510558783457} 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