iterations/neb0_image02_iter277.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 {} {0.454748620799 0.268041305669 0.486483032189} O1 1 1
14 {} {0.325393137778 0.24136186586 0.58281584527} Si1 2 1
14 {} {0.584321000972 0.35015777446 0.427480269517} Si2 3 1
8 {} {0.536469149293 0.494107251838 0.365541276131} O2 4 1
8 {} {0.311665276253 0.357569324535 0.697222413438} O3 5 1
14 {} {0.240169666019 0.503113725472 0.733860616258} Si3 6 1
14 {} {0.565523814671 0.655864112658 0.356641251369} Si4 7 1
1 {} {0.347459429394 0.110687118337 0.651627842954} H1 8 1
1 {} {0.203451980365 0.237963887835 0.49606285699} H2 9 1
1 {} {0.642773147898 0.268123458372 0.318221513831} H3 10 1
1 {} {0.681766790081 0.373984000347 0.538154809375} H4 11 1
1 {} {0.0940812773299 0.483533245469 0.754280010314} H5 12 1
1 {} {0.311049000792 0.55314172361 0.855001288795} H6 13 1
1 {} {0.438579812585 0.720316376225 0.314717252715} H7 14 1
1 {} {0.673650098866 0.685146108434 0.258295388056} H8 15 1
1 {} {0.604405672793 0.70813736903 0.491460725273} H10 16 1
8 {} {0.253152300157 0.61200374768 0.609441657387} O 17 1
1 {} {0.34142626383 0.649265834443 0.59374965193} 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