iterations/neb0_image08_iter133.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 {} {0.471180071273 0.221562197814 0.490430450231} O1 1 1
14 {} {0.3311240186 0.22054128701 0.57706084833} Si1 2 1
14 {} {0.605634991701 0.304712682604 0.446263289982} Si2 3 1
8 {} {0.570431049096 0.459779102178 0.403313981039} O2 4 1
8 {} {0.32461625768 0.349755879543 0.679226565806} O3 5 1
14 {} {0.300595181527 0.512938570614 0.675130804436} Si3 6 1
14 {} {0.508706653124 0.603706584419 0.453335024972} Si4 7 1
1 {} {0.328418294449 0.0976629239968 0.659630584894} H1 8 1
1 {} {0.216464440614 0.226056450194 0.482366690781} H2 9 1
1 {} {0.662408738282 0.236482414896 0.327048325354} H3 10 1
1 {} {0.701905938552 0.309665230889 0.560528902242} H4 11 1
1 {} {0.154958036111 0.542085884293 0.663459977165} H5 12 1
1 {} {0.358721945918 0.569027614933 0.800342105068} H6 13 1
1 {} {0.331271805634 0.865365208857 0.430486831067} H7 14 1
1 {} {0.47079919941 0.678134472947 0.331110269813} H8 15 1
1 {} {0.608714210873 0.677996192798 0.535403497775} H10 16 1
8 {} {0.373329339687 0.579958637726 0.544026614531} O 17 1
1 {} {0.290806009738 0.817086631089 0.471893150414} 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
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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
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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
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end