./iterations/neb0_image05_iter262.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470395968228 0.261171542967 0.489935406344} O1 1 1
14 {} {0.324316935692 0.232139974792 0.558461906992} Si1 2 1
14 {} {0.609806082596 0.346250467032 0.472398621247} Si2 3 1
8 {} {0.591194401515 0.502854449457 0.519994395833} O2 4 1
8 {} {0.25741795696 0.366010312316 0.622573723857} O3 5 1
14 {} {0.235313070028 0.525587808959 0.657354991431} Si3 6 1
14 {} {0.576232055302 0.655523330984 0.457507864059} Si4 7 1
1 {} {0.340680192189 0.132261800604 0.668177034352} H1 8 1
1 {} {0.238341117989 0.180844949382 0.447776646891} H2 9 1
1 {} {0.647538903786 0.341832292374 0.328780074459} H3 10 1
1 {} {0.715534678998 0.286575283244 0.558025281517} H4 11 1
1 {} {0.135697894755 0.53539177554 0.765366505929} H5 12 1
1 {} {0.365104498713 0.586184460102 0.699458493006} H6 13 1
1 {} {0.523026613132 0.749175102796 0.560085851747} H7 14 1
1 {} {0.480347812829 0.651607478482 0.343032330127} H8 15 1
1 {} {0.70888073584 0.705950919583 0.411306151234} H10 16 1
8 {} {0.170105792748 0.601678108472 0.526643654015} O 17 1
1 {} {0.220151334239 0.611478046036 0.444179260434} 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