iterations/neb0_image07_iter101.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	{{}}
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@data
8 {} {0.470091917052 0.22242369954 0.491146628078} O1 1 1
14 {} {0.330764661294 0.222236592646 0.578166073009} Si1 2 1
14 {} {0.600039526195 0.312550656229 0.445693237162} Si2 3 1
8 {} {0.559696737591 0.464933917972 0.404397499962} O2 4 1
8 {} {0.325704979705 0.352717863747 0.678842832591} O3 5 1
14 {} {0.29837955297 0.514747462898 0.676346812099} Si3 6 1
14 {} {0.503791062977 0.611034519249 0.452241517119} Si4 7 1
1 {} {0.327201742682 0.10051943654 0.662121693447} H1 8 1
1 {} {0.216029582106 0.229808607981 0.484166035605} H2 9 1
1 {} {0.658813958689 0.253582662275 0.32295890922} H3 10 1
1 {} {0.695566832861 0.319689926332 0.560065058396} H4 11 1
1 {} {0.151833940842 0.541736431889 0.666727132949} H5 12 1
1 {} {0.355521718014 0.570399726294 0.802257785605} H6 13 1
1 {} {0.350608764147 0.824288194501 0.428971857385} H7 14 1
1 {} {0.483520395897 0.681422161298 0.323369448922} H8 15 1
1 {} {0.603395935783 0.684731197066 0.533785908946} H10 16 1
8 {} {0.370243326709 0.583425971018 0.545748224851} O 17 1
1 {} {0.308881496092 0.782268923318 0.474051289377} 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
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14 6 0 0
16 5 0 2
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7 1 0 0
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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}}
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@end
@data
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end