./iterations/neb0_image06_iter35.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 {} {0.469079342569 0.226218799595 0.481922127197} O1 1 1
14 {} {0.332352564418 0.232797791696 0.572123268807} Si1 2 1
14 {} {0.596054967315 0.320048583677 0.439391628174} Si2 3 1
8 {} {0.540596062161 0.469280934401 0.400022934114} O2 4 1
8 {} {0.332831043258 0.364435280524 0.66491175996} O3 5 1
14 {} {0.29164302432 0.521470999421 0.684328561097} Si3 6 1
14 {} {0.495085580237 0.621672715431 0.445508078557} Si4 7 1
1 {} {0.329283444496 0.11288416306 0.658807256434} H1 8 1
1 {} {0.21614839992 0.235375777645 0.479549246424} H2 9 1
1 {} {0.663850268414 0.24853378149 0.32837108139} H3 10 1
1 {} {0.691768752862 0.332064117861 0.552258769149} H4 11 1
1 {} {0.14345161142 0.524232939572 0.698538045385} H5 12 1
1 {} {0.340669953871 0.560776830241 0.818228263003} H6 13 1
1 {} {0.355453181314 0.792415681444 0.420521100078} H7 14 1
1 {} {0.519109124099 0.682720331783 0.306704955481} H8 15 1
1 {} {0.594478934009 0.683984553516 0.537753176813} H10 16 1
8 {} {0.36408633434 0.598994011884 0.55646752567} O 17 1
1 {} {0.334143548269 0.744610658759 0.485650205759} 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