./iterations/neb0_image07_iter262.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.47777203101 0.215649769495 0.500807804857} O1 1 1
14 {} {0.336403546757 0.21228685912 0.584680176372} Si1 2 1
14 {} {0.614047032841 0.294744572199 0.454516578969} Si2 3 1
8 {} {0.58520911894 0.454497284969 0.429046799073} O2 4 1
8 {} {0.312933088665 0.352511933162 0.666627603977} O3 5 1
14 {} {0.290670530369 0.514509871645 0.647122766356} Si3 6 1
14 {} {0.496249446181 0.591704923584 0.430893224863} Si4 7 1
1 {} {0.342584078668 0.103942224534 0.685497614437} H1 8 1
1 {} {0.226788787401 0.191625049521 0.485480129499} H2 9 1
1 {} {0.661725094611 0.234244415887 0.327360480502} H3 10 1
1 {} {0.716383994387 0.282770008748 0.562102710268} H4 11 1
1 {} {0.145101101116 0.543321946494 0.647550417811} H5 12 1
1 {} {0.363748486105 0.582493777639 0.757950052611} H6 13 1
1 {} {0.338155811984 0.927000896173 0.499931715265} H7 14 1
1 {} {0.470975961629 0.635473178317 0.29144462679} H8 15 1
1 {} {0.570325329903 0.694472425705 0.508701328321} H10 16 1
8 {} {0.350103784878 0.563379668085 0.501695455994} O 17 1
1 {} {0.310908595204 0.877889028539 0.549648222283} 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
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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
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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