./iterations/neb0_image03_iter18.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.469409966613 0.231778964406 0.47868206871} O1 1 1
14 {} {0.330603752685 0.241889462333 0.568350774192} Si1 2 1
14 {} {0.59970118544 0.325346695841 0.434417213678} Si2 3 1
8 {} {0.548572140185 0.475310909522 0.37945164062} O2 4 1
8 {} {0.331771305403 0.374641869053 0.661549138766} O3 5 1
14 {} {0.274199355325 0.520876071384 0.710194489081} Si3 6 1
14 {} {0.513072336171 0.641895334816 0.38856391195} Si4 7 1
1 {} {0.325476874401 0.117853873702 0.654383514294} H1 8 1
1 {} {0.213933717182 0.244254959732 0.472445574439} H2 9 1
1 {} {0.669233883565 0.242737306128 0.328358180058} H3 10 1
1 {} {0.691138960489 0.336058192633 0.554542040156} H4 11 1
1 {} {0.126651402483 0.504150927806 0.721123642802} H5 12 1
1 {} {0.342733940462 0.546940263485 0.840144610936} H6 13 1
1 {} {0.38457676216 0.722923906377 0.368915043933} H7 14 1
1 {} {0.586045450633 0.697005799658 0.273657986213} H8 15 1
1 {} {0.574244798223 0.680727794749 0.520121686827} H10 16 1
8 {} {0.308226009222 0.637935271835 0.591673181763} O 17 1
1 {} {0.320494292891 0.730190366572 0.584483290896} 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