iterations/neb0_image09_iter62.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472398379228 0.21228609032 0.49441699474} O1 1 1
14 {} {0.336205155362 0.216224177315 0.586449372475} Si1 2 1
14 {} {0.603029057143 0.298822108322 0.445072016145} Si2 3 1
8 {} {0.559994346228 0.451611112495 0.402238781535} O2 4 1
8 {} {0.329241088406 0.355196789796 0.674536155634} O3 5 1
14 {} {0.296503091162 0.516332326106 0.669370400691} Si3 6 1
14 {} {0.506532413546 0.599012039879 0.451213568562} Si4 7 1
1 {} {0.340327183988 0.102628416159 0.681937382742} H1 8 1
1 {} {0.218082680904 0.208951960898 0.496073004845} H2 9 1
1 {} {0.658666955882 0.231985803924 0.324841283077} H3 10 1
1 {} {0.702012176014 0.307072599991 0.556313131903} H4 11 1
1 {} {0.150182982983 0.53837333581 0.655447416874} H5 12 1
1 {} {0.351168869636 0.576884441868 0.793661290312} H6 13 1
1 {} {0.323664798242 0.877909088318 0.412979166049} H7 14 1
1 {} {0.476294351889 0.677902053918 0.329330752475} H8 15 1
1 {} {0.610509098409 0.663785856545 0.536199208218} H10 16 1
8 {} {0.367977540824 0.585442476841 0.538649803655} O 17 1
1 {} {0.307295997864 0.852097265981 0.482328255314} 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
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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