./iterations/neb0_image03_iter293.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 {} {0.458128903341 0.260584229731 0.480784223207} O1 1 1
14 {} {0.325457934798 0.240743467263 0.574070044519} Si1 2 1
14 {} {0.590651303261 0.344146380751 0.431712674916} Si2 3 1
8 {} {0.546325830057 0.491457580602 0.374596537254} O2 4 1
8 {} {0.306059864455 0.364942751066 0.680224599141} O3 5 1
14 {} {0.251253557789 0.511266953029 0.730059633027} Si3 6 1
14 {} {0.56436106841 0.654950342169 0.374293286595} Si4 7 1
1 {} {0.34130006442 0.114864900961 0.652355243346} H1 8 1
1 {} {0.208062579067 0.234679733831 0.481441199226} H2 9 1
1 {} {0.653615140754 0.267717822836 0.321539010859} H3 10 1
1 {} {0.684638814245 0.360916756532 0.546402565984} H4 11 1
1 {} {0.103742947162 0.500118308519 0.750108954703} H5 12 1
1 {} {0.321354124674 0.548997752887 0.855549288462} H6 13 1
1 {} {0.427748103358 0.716760294655 0.370935308946} H7 14 1
1 {} {0.638648494577 0.696954723422 0.251846859328} H8 15 1
1 {} {0.636004240654 0.699747384263 0.497414161764} H10 16 1
8 {} {0.290569022311 0.632571476977 0.625546147043} O 17 1
1 {} {0.262164062291 0.631097125409 0.532177848375} 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