./iterations/neb0_image06_iter202.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 {} {0.474887322742 0.225681178167 0.486184241077} O1 1 1
14 {} {0.331089472564 0.216474995337 0.566497191714} Si1 2 1
14 {} {0.608397043989 0.318087315534 0.457988946434} Si2 3 1
8 {} {0.571466196213 0.476336004911 0.467459802798} O2 4 1
8 {} {0.30231781485 0.353348720475 0.652607493854} O3 5 1
14 {} {0.28613640349 0.515637434971 0.653334617844} Si3 6 1
14 {} {0.486088842667 0.614129680217 0.447613579857} Si4 7 1
1 {} {0.335219856561 0.102609355899 0.663197540181} H1 8 1
1 {} {0.223928638822 0.200550207503 0.464136261735} H2 9 1
1 {} {0.654634836259 0.290335566176 0.319347866822} H3 10 1
1 {} {0.712567416817 0.294112424636 0.563068908943} H4 11 1
1 {} {0.145608785535 0.547593531309 0.692448857509} H5 12 1
1 {} {0.381111548586 0.578023707023 0.748939683372} H6 13 1
1 {} {0.389035654294 0.811045145253 0.529250327166} H7 14 1
1 {} {0.469097437705 0.656864056117 0.305301922029} H8 15 1
1 {} {0.585301888654 0.711542584816 0.504803678228} H10 16 1
8 {} {0.331267654682 0.576694263458 0.50557712632} O 17 1
1 {} {0.3219291186 0.783451713709 0.503300046913} 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