iterations/neb0_image07_iter44.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469547743229 0.22015731696 0.482674166896} O1 1 1
14 {} {0.332370525195 0.225720229315 0.571109875536} Si1 2 1
14 {} {0.598807470833 0.313166682411 0.442344762019} Si2 3 1
8 {} {0.54810405316 0.462199320844 0.400384204857} O2 4 1
8 {} {0.333756924368 0.356070053519 0.671287867232} O3 5 1
14 {} {0.297062580379 0.515323166766 0.679984119773} Si3 6 1
14 {} {0.501223264633 0.610747508809 0.453782646271} Si4 7 1
1 {} {0.329074891228 0.108544332242 0.659636680819} H1 8 1
1 {} {0.215627231877 0.233943393316 0.479921349466} H2 9 1
1 {} {0.663375594362 0.249806030763 0.326013170662} H3 10 1
1 {} {0.693502087261 0.329832882781 0.555137248986} H4 11 1
1 {} {0.148496841261 0.533734633224 0.681409011782} H5 12 1
1 {} {0.349878812999 0.569365383263 0.80879062841} H6 13 1
1 {} {0.344016282061 0.808689887485 0.417445078689} H7 14 1
1 {} {0.490233976068 0.683231809015 0.324263274904} H8 15 1
1 {} {0.601062249157 0.681447247223 0.542238348583} H10 16 1
8 {} {0.364373929674 0.590004738109 0.549551690562} O 17 1
1 {} {0.329571694319 0.780533346126 0.485083855543} 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