./iterations/neb0_image06_iter217.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 {} {0.475143845791 0.227345283612 0.486176510472} O1 1 1
14 {} {0.330851118532 0.217049989592 0.565291041953} Si1 2 1
14 {} {0.608066011549 0.319016627159 0.459067162245} Si2 3 1
8 {} {0.573553986689 0.477417045986 0.472772563593} O2 4 1
8 {} {0.298773933251 0.352902855769 0.652026821431} O3 5 1
14 {} {0.285099368568 0.516368011402 0.65268719276} Si3 6 1
14 {} {0.48775216608 0.61344765609 0.447553620704} Si4 7 1
1 {} {0.334999572908 0.105114442093 0.663088772156} H1 8 1
1 {} {0.22455399771 0.197575880872 0.462903321155} H2 9 1
1 {} {0.653648367352 0.294006739408 0.31992942119} H3 10 1
1 {} {0.712637009702 0.29379370891 0.56178011651} H4 11 1
1 {} {0.145247613246 0.546093669232 0.696207909194} H5 12 1
1 {} {0.381514804713 0.577050443921 0.746841520801} H6 13 1
1 {} {0.38898496505 0.810130294906 0.527543556063} H7 14 1
1 {} {0.469319819193 0.653665490288 0.306157363301} H8 15 1
1 {} {0.587628192634 0.712937683871 0.502189062692} H10 16 1
8 {} {0.330029802343 0.576608498541 0.504730528664} O 17 1
1 {} {0.322281363311 0.781993579592 0.504111623791} 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