./iterations/neb0_image07_iter216.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 {} {0.473953460813 0.230109780031 0.495481997139} O1 1 1
14 {} {0.334082721099 0.217414880581 0.580552639941} Si1 2 1
14 {} {0.615620629613 0.300593478115 0.452097908455} Si2 3 1
8 {} {0.596931145408 0.461489803595 0.423413931641} O2 4 1
8 {} {0.308551677258 0.349164595013 0.676756145222} O3 5 1
14 {} {0.291104810979 0.510771289302 0.651402709723} Si3 6 1
14 {} {0.495813391968 0.590582195933 0.434447295311} Si4 7 1
1 {} {0.343834587434 0.0992229072213 0.669376359214} H1 8 1
1 {} {0.221873266625 0.205869439593 0.483310673791} H2 9 1
1 {} {0.661006156797 0.23367157394 0.327406182672} H3 10 1
1 {} {0.714800891324 0.287975374972 0.562518748168} H4 11 1
1 {} {0.14757982589 0.54938546426 0.650839157627} H5 12 1
1 {} {0.36743037612 0.580460815118 0.758711701421} H6 13 1
1 {} {0.342788952657 0.915805699423 0.500854459435} H7 14 1
1 {} {0.46832438162 0.638177810654 0.296982117175} H8 15 1
1 {} {0.559139832686 0.693206608553 0.522360782195} H10 16 1
8 {} {0.351627395714 0.549242603454 0.50282983594} O 17 1
1 {} {0.315622418023 0.859373503435 0.541715147749} 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