./iterations/neb0_image09_iter77.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472319632282 0.213221860701 0.494897111997} O1 1 1
14 {} {0.336116813236 0.216317160304 0.586417965038} Si1 2 1
14 {} {0.603150042284 0.299336526802 0.444936986196} Si2 3 1
8 {} {0.559727212076 0.451642516733 0.401841908829} O2 4 1
8 {} {0.328609348892 0.355023198429 0.675260936483} O3 5 1
14 {} {0.296858053464 0.516105621288 0.669148925731} Si3 6 1
14 {} {0.507042478462 0.599375427477 0.450767012753} Si4 7 1
1 {} {0.339869744957 0.102211920862 0.6812009439} H1 8 1
1 {} {0.218419403434 0.20919813874 0.495613384611} H2 9 1
1 {} {0.658995163639 0.232396579251 0.324891953585} H3 10 1
1 {} {0.701729945908 0.305935968021 0.556606793842} H4 11 1
1 {} {0.150378259423 0.538124294483 0.655709796834} H5 12 1
1 {} {0.35131970106 0.576281871304 0.793940669366} H6 13 1
1 {} {0.323555973978 0.878387090011 0.413463281297} H7 14 1
1 {} {0.475661247212 0.67857117935 0.329834984452} H8 15 1
1 {} {0.611212240439 0.663626404245 0.535877134285} H10 16 1
8 {} {0.368148229641 0.584778883305 0.538484494781} O 17 1
1 {} {0.306972675062 0.851983295861 0.482163691352} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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