iterations/neb0_image07_iter37.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 {} {0.469852430806 0.223310935819 0.483038519131} O1 1 1
14 {} {0.332773227529 0.22830188237 0.572728020632} Si1 2 1
14 {} {0.598817239151 0.313633575546 0.441243841273} Si2 3 1
8 {} {0.546499340272 0.463343696667 0.399582947805} O2 4 1
8 {} {0.333059501372 0.358300108718 0.668804635216} O3 5 1
14 {} {0.295651727733 0.517748467624 0.679237062924} Si3 6 1
14 {} {0.500380329489 0.610350704838 0.453110145316} Si4 7 1
1 {} {0.33002307894 0.109935846394 0.660749248484} H1 8 1
1 {} {0.216326385404 0.232922617798 0.480946582553} H2 9 1
1 {} {0.663924268085 0.245899186221 0.327875380645} H3 10 1
1 {} {0.69355304239 0.328567818176 0.553486348026} H4 11 1
1 {} {0.148448641074 0.528898545386 0.687710453709} H5 12 1
1 {} {0.345195317261 0.565004082371 0.810012386023} H6 13 1
1 {} {0.342233443537 0.807275609539 0.417257257958} H7 14 1
1 {} {0.498464126014 0.681805834896 0.31947835974} H8 15 1
1 {} {0.599281997602 0.680918601936 0.540042273361} H10 16 1
8 {} {0.365273547289 0.590182416015 0.547688615269} O 17 1
1 {} {0.330328508332 0.786118037318 0.488065912788} 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