./iterations/neb0_image06_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_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 {} {0.469305557852 0.225993044426 0.481982584325} O1 1 1
14 {} {0.332280118562 0.232236913189 0.571830951519} Si1 2 1
14 {} {0.595671393877 0.320004754703 0.439817474234} Si2 3 1
8 {} {0.539812979545 0.469533884744 0.400865653403} O2 4 1
8 {} {0.333053845993 0.363708906433 0.664868621709} O3 5 1
14 {} {0.291947264898 0.520739531622 0.684626550235} Si3 6 1
14 {} {0.495521900382 0.621320238125 0.446394559559} Si4 7 1
1 {} {0.329310922326 0.113081989011 0.658934668334} H1 8 1
1 {} {0.216108971452 0.235303175713 0.479769432386} H2 9 1
1 {} {0.663295201124 0.24966378067 0.328235168964} H3 10 1
1 {} {0.691562995391 0.332310093428 0.55217718058} H4 11 1
1 {} {0.14364628585 0.525666028073 0.696961816491} H5 12 1
1 {} {0.341303813722 0.562013785987 0.817677109848} H6 13 1
1 {} {0.356197187219 0.791161927264 0.421694838773} H7 14 1
1 {} {0.517471975509 0.682811702716 0.30732828441} H8 15 1
1 {} {0.59491166201 0.68440431185 0.537949067076} H10 16 1
8 {} {0.364631079389 0.598261271109 0.556045254656} O 17 1
1 {} {0.334052980164 0.744302613107 0.483898767259} 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