./iterations/neb0_image03_iter190.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 {} {0.459232837444 0.263293325723 0.493271171389} O1 1 1
14 {} {0.32433738772 0.236843412969 0.582334863088} Si1 2 1
14 {} {0.583073305583 0.350077325108 0.431394187606} Si2 3 1
8 {} {0.530247334705 0.493708449147 0.371443499529} O2 4 1
8 {} {0.307029266179 0.350153608173 0.699561623036} O3 5 1
14 {} {0.260727293593 0.503558459498 0.733529657692} Si3 6 1
14 {} {0.560055212983 0.656057923477 0.363078622473} Si4 7 1
1 {} {0.33902766895 0.105175877796 0.648654087751} H1 8 1
1 {} {0.206185800316 0.239476952105 0.492153870708} H2 9 1
1 {} {0.639961951946 0.270105738462 0.319177359697} H3 10 1
1 {} {0.683668741643 0.375377713943 0.539393445069} H4 11 1
1 {} {0.112451743095 0.514162227659 0.730913889064} H5 12 1
1 {} {0.31784747715 0.536265704742 0.86559921879} H6 13 1
1 {} {0.433619399362 0.726102994112 0.325408715746} H7 14 1
1 {} {0.662209268236 0.681579626323 0.256277114445} H8 15 1
1 {} {0.609031746556 0.707836635466 0.494370215116} H10 16 1
8 {} {0.322893403042 0.611868597669 0.622372984433} O 17 1
1 {} {0.258486369594 0.650873483712 0.562123259251} 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