iterations/neb0_image06_iter90.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.46990166233 0.223135063995 0.490441377473} O1 1 1
14 {} {0.331156097197 0.22331406537 0.577998600616} Si1 2 1
14 {} {0.594800016255 0.321275666808 0.444815003995} Si2 3 1
8 {} {0.546278802574 0.470865246876 0.408370499655} O2 4 1
8 {} {0.325385260463 0.353458391279 0.680005730822} O3 5 1
14 {} {0.295000030115 0.515033973794 0.677783029579} Si3 6 1
14 {} {0.497961630602 0.621423311654 0.447594748793} Si4 7 1
1 {} {0.327032594245 0.100606731344 0.662387492119} H1 8 1
1 {} {0.215137886079 0.230836999029 0.484111558559} H2 9 1
1 {} {0.654282840794 0.269132721108 0.319696306111} H3 10 1
1 {} {0.690082752797 0.329314176933 0.558606399217} H4 11 1
1 {} {0.147774649908 0.540555767999 0.670390385826} H5 12 1
1 {} {0.354008308324 0.571331033455 0.802575654453} H6 13 1
1 {} {0.366875341852 0.794261292143 0.434217474267} H7 14 1
1 {} {0.505073323013 0.678788538438 0.307166337975} H8 15 1
1 {} {0.596116706137 0.694820083891 0.532322116136} H10 16 1
8 {} {0.363493409102 0.584087625981 0.54510529094} O 17 1
1 {} {0.329724786299 0.750277286296 0.48746998953} 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