./iterations/neb0_image04_iter188.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.466045989411 0.253073049762 0.488536306788} O1 1 1
14 {} {0.326325954112 0.229618499064 0.570527049411} Si1 2 1
14 {} {0.592461630585 0.346244858152 0.443104132014} Si2 3 1
8 {} {0.543028698069 0.499345295887 0.41556563338} O2 4 1
8 {} {0.293930052316 0.350219782744 0.676543953667} O3 5 1
14 {} {0.254302487824 0.507157497579 0.704758086712} Si3 6 1
14 {} {0.562428362974 0.66229581861 0.398723922219} Si4 7 1
1 {} {0.339815079885 0.105357162747 0.650907262342} H1 8 1
1 {} {0.215384571835 0.2190618098 0.47143469205} H2 9 1
1 {} {0.647906718293 0.291104509318 0.316425671449} H3 10 1
1 {} {0.692501169517 0.344861044173 0.553923255963} H4 11 1
1 {} {0.111330645917 0.517153667291 0.743039834164} H5 12 1
1 {} {0.34064267809 0.55579732684 0.81536127267} H6 13 1
1 {} {0.432561764617 0.732754196617 0.420317193665} H7 14 1
1 {} {0.609505276859 0.691372485297 0.259749985066} H8 15 1
1 {} {0.661583973579 0.711887525412 0.499573470276} H10 16 1
8 {} {0.285782628733 0.589157345678 0.565495241457} O 17 1
1 {} {0.234548352281 0.666055987318 0.537071131272} 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