./iterations/neb0_image06_iter291.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.465750419122 0.267801432764 0.488508659934} O1 1 1
14 {} {0.320957708706 0.229081499594 0.554275854896} Si1 2 1
14 {} {0.607753188129 0.348271643663 0.476875630068} Si2 3 1
8 {} {0.590550963854 0.496399675381 0.548160734038} O2 4 1
8 {} {0.236817313121 0.352341819366 0.62925462325} O3 5 1
14 {} {0.268364682541 0.510910354197 0.662985176065} Si3 6 1
14 {} {0.495747769546 0.610678506539 0.472945957228} Si4 7 1
1 {} {0.344105268375 0.132949295698 0.664469824337} H1 8 1
1 {} {0.239836907511 0.171553106438 0.443975101399} H2 9 1
1 {} {0.634030282968 0.374563931532 0.333615001365} H3 10 1
1 {} {0.716703242913 0.274605869777 0.545244201202} H4 11 1
1 {} {0.144488289068 0.575104251672 0.715751062587} H5 12 1
1 {} {0.377388740179 0.533457696714 0.759504311233} H6 13 1
1 {} {0.413467978721 0.770963795846 0.471254921257} H7 14 1
1 {} {0.473051004984 0.595134313256 0.328258140577} H8 15 1
1 {} {0.599750435015 0.721773085195 0.468820609752} H10 16 1
8 {} {0.333566312995 0.573459652726 0.52561088928} O 17 1
1 {} {0.34775564136 0.733468336296 0.441547744026} 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