iterations/neb0_image08_iter243.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472588441032 0.224444978329 0.493775515248} O1 1 1
14 {} {0.331599456041 0.218483138831 0.5768766621} Si1 2 1
14 {} {0.613936516141 0.296265074357 0.452319701348} Si2 3 1
8 {} {0.591929043211 0.455538725906 0.42134781178} O2 4 1
8 {} {0.313904422517 0.350037609658 0.674450704368} O3 5 1
14 {} {0.300269929429 0.513662229208 0.66711093907} Si3 6 1
14 {} {0.511156897705 0.595972617299 0.446862999293} Si4 7 1
1 {} {0.332326292199 0.0978485940537 0.663167592486} H1 8 1
1 {} {0.220223573101 0.213198115446 0.478091685432} H2 9 1
1 {} {0.663060687351 0.230673967172 0.328894209355} H3 10 1
1 {} {0.710416304336 0.281432317843 0.564331289263} H4 11 1
1 {} {0.157522291695 0.552901873988 0.658558035988} H5 12 1
1 {} {0.366477201067 0.568473621556 0.788207991019} H6 13 1
1 {} {0.310680237745 0.912499984646 0.475187316356} H7 14 1
1 {} {0.472070288952 0.652888967347 0.315770378408} H8 15 1
1 {} {0.598033223506 0.687026783998 0.52587887799} H10 16 1
8 {} {0.372159746494 0.571214227452 0.530822404946} O 17 1
1 {} {0.271731696233 0.8499550521 0.469403598467} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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