./iterations/neb0_image01_iter42.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.467568363518 0.241163013615 0.472368226107} O1 1 1
14 {} {0.328365406257 0.249173137169 0.558893711955} Si1 2 1
14 {} {0.598172036745 0.331377938864 0.431171209266} Si2 3 1
8 {} {0.551048245577 0.475706130147 0.368738771527} O2 4 1
8 {} {0.334015109478 0.379866635948 0.658370039581} O3 5 1
14 {} {0.266408119348 0.514714558555 0.722918055638} Si3 6 1
14 {} {0.530416911396 0.638570540623 0.373649129355} Si4 7 1
1 {} {0.318886597965 0.12526963761 0.640012570753} H1 8 1
1 {} {0.214244470626 0.260236372055 0.464566273343} H2 9 1
1 {} {0.671814280089 0.254666018971 0.327836652712} H3 10 1
1 {} {0.68349243228 0.353044901079 0.551322354416} H4 11 1
1 {} {0.121702821511 0.492341748 0.74541070245} H5 12 1
1 {} {0.341311236615 0.540725102627 0.849129559497} H6 13 1
1 {} {0.387880902077 0.672325228247 0.345577672462} H7 14 1
1 {} {0.617218098685 0.70416623457 0.271168213905} H8 15 1
1 {} {0.563009092003 0.689388519042 0.511052980876} H10 16 1
8 {} {0.269810877604 0.64382796771 0.62041462746} O 17 1
1 {} {0.344721139582 0.705954261734 0.618457234146} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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