./iterations/neb0_image01_iter292.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.460363854023 0.259808800143 0.481019000729} O1 1 1
14 {} {0.327340572297 0.246772318951 0.575165262612} Si1 2 1
14 {} {0.592842774898 0.34004535847 0.427228896325} Si2 3 1
8 {} {0.550526926785 0.47967015423 0.352627148044} O2 4 1
8 {} {0.322659775332 0.365446026726 0.687762983418} O3 5 1
14 {} {0.254527195629 0.509937303568 0.729739012988} Si3 6 1
14 {} {0.541086558008 0.643908585583 0.358850438139} Si4 7 1
1 {} {0.33476918291 0.1160432403 0.645273809227} H1 8 1
1 {} {0.207358060227 0.255315540049 0.487701020155} H2 9 1
1 {} {0.659718855146 0.253084483468 0.327828687372} H3 10 1
1 {} {0.681975056946 0.371695707902 0.542138898515} H4 11 1
1 {} {0.107763310877 0.492599445987 0.740981844972} H5 12 1
1 {} {0.318015903464 0.551432377534 0.857488316134} H6 13 1
1 {} {0.410997994954 0.68739762245 0.301551252118} H7 14 1
1 {} {0.653657600333 0.704244843164 0.281837748878} H8 15 1
1 {} {0.550086729875 0.6906509745 0.501180571464} H10 16 1
8 {} {0.27730132136 0.626112680441 0.614830185999} O 17 1
1 {} {0.359094253435 0.678352110348 0.617852800721} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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