iterations/neb0_image05_iter178.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.473829140481 0.237992528699 0.487181064138} O1 1 1
14 {} {0.329201650665 0.225968507069 0.564284257311} Si1 2 1
14 {} {0.597595893013 0.342993144946 0.4641298106} Si2 3 1
8 {} {0.544282511787 0.496233740485 0.489644323608} O2 4 1
8 {} {0.291757724056 0.362532356023 0.64515249925} O3 5 1
14 {} {0.252522267113 0.520630785735 0.663762927382} Si3 6 1
14 {} {0.557094614999 0.651825893414 0.438547568775} Si4 7 1
1 {} {0.339127052889 0.115388907304 0.663847937349} H1 8 1
1 {} {0.225479248316 0.201021014094 0.460250521106} H2 9 1
1 {} {0.645756373097 0.331112029646 0.324211224601} H3 10 1
1 {} {0.704137681463 0.313539444382 0.563391948441} H4 11 1
1 {} {0.134421304184 0.524899120725 0.754462819155} H5 12 1
1 {} {0.36823906281 0.593924205901 0.722646605995} H6 13 1
1 {} {0.460092665128 0.724031356138 0.526029466595} H7 14 1
1 {} {0.517164827395 0.666958135847 0.295220815622} H8 15 1
1 {} {0.695813186429 0.705280321684 0.454918833992} H10 16 1
8 {} {0.210063747879 0.59054534175 0.518869308668} O 17 1
1 {} {0.263507060947 0.667641109002 0.494506200629} 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