iterations/neb0_image07_iter122.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 {} {0.470012321307 0.225184559818 0.490801598082} O1 1 1
14 {} {0.330715234426 0.222395142531 0.578103924681} Si1 2 1
14 {} {0.603899593205 0.310144089264 0.447095655823} Si2 3 1
8 {} {0.56816917688 0.464859367229 0.406717126934} O2 4 1
8 {} {0.322874080042 0.352711879423 0.679120788627} O3 5 1
14 {} {0.297596250355 0.515225883529 0.672498078459} Si3 6 1
14 {} {0.50406866243 0.608940192453 0.450197805227} Si4 7 1
1 {} {0.328777393665 0.0992811483832 0.661798298677} H1 8 1
1 {} {0.214485782504 0.225884743346 0.483992631998} H2 9 1
1 {} {0.657706908837 0.246370206995 0.325316574428} H3 10 1
1 {} {0.700285626413 0.315313517322 0.560389173112} H4 11 1
1 {} {0.151818115195 0.541847734443 0.664223460377} H5 12 1
1 {} {0.358132277255 0.574072527085 0.794913820833} H6 13 1
1 {} {0.34860503231 0.833248818519 0.437250527998} H7 14 1
1 {} {0.475811203136 0.679369520732 0.321805917572} H8 15 1
1 {} {0.597842409887 0.690203725398 0.534242278844} H10 16 1
8 {} {0.366361213338 0.579251110845 0.537658245089} O 17 1
1 {} {0.312924825769 0.788213750462 0.484932032611} 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