iterations/neb0_image02_iter75.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468179677617 0.236636050838 0.476658940786} O1 1 1
14 {} {0.329686080295 0.243890407677 0.564641840312} Si1 2 1
14 {} {0.595293359225 0.331165883487 0.431441997227} Si2 3 1
8 {} {0.541963321836 0.475055288265 0.374655959919} O2 4 1
8 {} {0.330454046534 0.375344980931 0.662465330241} O3 5 1
14 {} {0.266441309705 0.517049145901 0.714667948573} Si3 6 1
14 {} {0.530107502938 0.639309743709 0.379811356619} Si4 7 1
1 {} {0.323461258735 0.122320751305 0.649914633606} H1 8 1
1 {} {0.213586326904 0.251080754447 0.472015350709} H2 9 1
1 {} {0.666218243668 0.260190805632 0.321659186004} H3 10 1
1 {} {0.682696022328 0.354262234484 0.550104187572} H4 11 1
1 {} {0.121364107625 0.496209587486 0.736959285363} H5 12 1
1 {} {0.339600150295 0.557492309633 0.838205029987} H6 13 1
1 {} {0.38810935742 0.67867457012 0.356911987644} H7 14 1
1 {} {0.616128429699 0.697704710866 0.27340565144} H8 15 1
1 {} {0.57707824078 0.690998462624 0.512326047831} H10 16 1
8 {} {0.280274093523 0.634931401704 0.599370319624} O 17 1
1 {} {0.339444589298 0.710200889226 0.615842929116} 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