./iterations/neb0_image08_iter170.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 {} {0.47097363888 0.228485414339 0.492811637787} O1 1 1
14 {} {0.330302117691 0.220562653534 0.576624969716} Si1 2 1
14 {} {0.611984240287 0.30061455405 0.449983416331} Si2 3 1
8 {} {0.587581417786 0.458371875425 0.410710807168} O2 4 1
8 {} {0.314712693336 0.347868106544 0.680659599276} O3 5 1
14 {} {0.300828494926 0.511947622161 0.673022621577} Si3 6 1
14 {} {0.511926696316 0.599146798128 0.450099971011} Si4 7 1
1 {} {0.330024493773 0.0965712926783 0.658531326053} H1 8 1
1 {} {0.218262867373 0.22260641998 0.478212163875} H2 9 1
1 {} {0.662970999673 0.231021496829 0.329315464074} H3 10 1
1 {} {0.707977875716 0.291181352024 0.564034541647} H4 11 1
1 {} {0.157208649739 0.54879862129 0.660891851968} H5 12 1
1 {} {0.363709769392 0.568044765035 0.795768142022} H6 13 1
1 {} {0.317205079456 0.893734563546 0.465150300057} H7 14 1
1 {} {0.467706360386 0.667231022987 0.325490180576} H8 15 1
1 {} {0.606842039119 0.683398715511 0.528318749829} H10 16 1
8 {} {0.37692306117 0.569412254969 0.539079355711} O 17 1
1 {} {0.272945760849 0.83352034599 0.452352694219} 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