./iterations/neb0_image06_iter142.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 {} {0.471752570477 0.231076947298 0.484878196789} O1 1 1
14 {} {0.330906502385 0.222607672102 0.569262282661} Si1 2 1
14 {} {0.605742021824 0.320168054522 0.450775466653} Si2 3 1
8 {} {0.574933952316 0.477895315987 0.433808971432} O2 4 1
8 {} {0.311397028945 0.35161886166 0.668369535217} O3 5 1
14 {} {0.285214134763 0.51409327502 0.660648607853} Si3 6 1
14 {} {0.48616159151 0.614036175252 0.446200788118} Si4 7 1
1 {} {0.33210797312 0.105205897419 0.660215527644} H1 8 1
1 {} {0.218991761137 0.217685252332 0.471160281769} H2 9 1
1 {} {0.658974655042 0.271039376525 0.322401894426} H3 10 1
1 {} {0.704042679427 0.310575533183 0.560228827641} H4 11 1
1 {} {0.139601556116 0.537099466556 0.690884293675} H5 12 1
1 {} {0.370525073625 0.587961679204 0.759297959799} H6 13 1
1 {} {0.394557777889 0.809581413914 0.499923398599} H7 14 1
1 {} {0.473693087642 0.667689692369 0.309607692814} H8 15 1
1 {} {0.585814345018 0.697976548887 0.522132569869} H10 16 1
8 {} {0.33363278081 0.56850871263 0.510423673743} O 17 1
1 {} {0.332036523933 0.767697979936 0.510838020605} 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