./iterations/neb0_image07_iter260.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 {} {0.477171712124 0.217463541397 0.500010511241} O1 1 1
14 {} {0.336130717876 0.212687677134 0.583924166371} Si1 2 1
14 {} {0.61437855719 0.295321567089 0.454324388231} Si2 3 1
8 {} {0.586884296072 0.455116188222 0.428570204179} O2 4 1
8 {} {0.312870580084 0.352258426508 0.668010096361} O3 5 1
14 {} {0.29096145546 0.513750449884 0.647599278798} Si3 6 1
14 {} {0.495990384334 0.591476572577 0.431296173557} Si4 7 1
1 {} {0.342458473827 0.102942630767 0.683171524929} H1 8 1
1 {} {0.226103492632 0.193407736384 0.485229893548} H2 9 1
1 {} {0.661443218337 0.234127418881 0.327410953666} H3 10 1
1 {} {0.716372003312 0.283667279475 0.562226004487} H4 11 1
1 {} {0.145677281838 0.544398157366 0.647194611791} H5 12 1
1 {} {0.364589172909 0.581971951927 0.75787123336} H6 13 1
1 {} {0.338714823037 0.926487620483 0.50078219697} H7 14 1
1 {} {0.470013193325 0.635772379362 0.292297675693} H8 15 1
1 {} {0.568745230032 0.694417884559 0.510807899758} H10 16 1
8 {} {0.350116933403 0.561241206426 0.501611442183} O 17 1
1 {} {0.311464306307 0.876009142502 0.548719461154} 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
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	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
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@data
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14 6 0 0
16 5 0 2
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4 1 0 0
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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}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
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5 4 1 {0 0 0} 0
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end