./iterations/neb0_image03_iter287.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.458149898528 0.260665370362 0.481164697457} O1 1 1
14 {} {0.32465207382 0.241410090403 0.574909871077} Si1 2 1
14 {} {0.590098733789 0.344296150571 0.431990789263} Si2 3 1
8 {} {0.545468456528 0.491215858279 0.373545325507} O2 4 1
8 {} {0.305840309072 0.364606909976 0.679936209545} O3 5 1
14 {} {0.250723305552 0.511178527439 0.73091021763} Si3 6 1
14 {} {0.563824906629 0.655390807324 0.373180446907} Si4 7 1
1 {} {0.341398511271 0.115359754513 0.651933868112} H1 8 1
1 {} {0.208117966786 0.235306773492 0.482214145065} H2 9 1
1 {} {0.653117225119 0.268417633163 0.320447340927} H3 10 1
1 {} {0.684733166566 0.361643696385 0.546945517178} H4 11 1
1 {} {0.103937516872 0.499179051101 0.751283666698} H5 12 1
1 {} {0.320535198206 0.54879417524 0.855782181259} H6 13 1
1 {} {0.427129688364 0.716112685169 0.367558809259} H7 14 1
1 {} {0.640739341916 0.696941399568 0.250960711991} H8 15 1
1 {} {0.634507083974 0.699190418278 0.498036953781} H10 16 1
8 {} {0.291444344412 0.631625371861 0.626242328313} O 17 1
1 {} {0.26566833395 0.631183315659 0.534014505966} 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