iterations/neb0_image09_iter216.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 {} {0.472046881103 0.215476788569 0.493894805625} O1 1 1
14 {} {0.333391940604 0.215070266293 0.581817514245} Si1 2 1
14 {} {0.60593868965 0.297203749585 0.444811786674} Si2 3 1
8 {} {0.569253080806 0.451760135724 0.402668214375} O2 4 1
8 {} {0.322974000455 0.349493471924 0.676697391927} O3 5 1
14 {} {0.299813033564 0.512228147969 0.672925292903} Si3 6 1
14 {} {0.511329180591 0.597308943362 0.452516641139} Si4 7 1
1 {} {0.334949533508 0.0969070620792 0.6715222097} H1 8 1
1 {} {0.218465791345 0.211912504267 0.487042182306} H2 9 1
1 {} {0.659256850654 0.228874382556 0.324362836899} H3 10 1
1 {} {0.70514316309 0.300183439951 0.55611885222} H4 11 1
1 {} {0.154735113622 0.542166267723 0.659291835919} H5 12 1
1 {} {0.35689522677 0.568244268746 0.798445868411} H6 13 1
1 {} {0.3175822886 0.909597437825 0.429101008239} H7 14 1
1 {} {0.47421954494 0.674073160467 0.331371292318} H8 15 1
1 {} {0.614818757473 0.666457396612 0.534600261676} H10 16 1
8 {} {0.375129007318 0.578694142394 0.543164447189} O 17 1
1 {} {0.28414402222 0.856866383984 0.47070522091} 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