./iterations/neb0_image02_iter177.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.463922402022 0.253557816705 0.49050064817} O1 1 1
14 {} {0.328366569763 0.239513181241 0.581900995304} Si1 2 1
14 {} {0.586209652325 0.344227306006 0.429865855742} Si2 3 1
8 {} {0.528924303655 0.485900158035 0.369908293482} O2 4 1
8 {} {0.319175456028 0.361419682859 0.691761985099} O3 5 1
14 {} {0.25107015307 0.507709486142 0.726110630315} Si3 6 1
14 {} {0.551150677246 0.648925565046 0.362036286276} Si4 7 1
1 {} {0.337684198538 0.110802688042 0.65634217291} H1 8 1
1 {} {0.209447172526 0.241807669594 0.49149020927} H2 9 1
1 {} {0.64704638152 0.266397841799 0.318834180673} H3 10 1
1 {} {0.684446743683 0.373043604022 0.538535868525} H4 11 1
1 {} {0.104167247882 0.49134703349 0.741813761515} H5 12 1
1 {} {0.318131000643 0.556874943906 0.849915256018} H6 13 1
1 {} {0.42350316442 0.714043944781 0.319195196537} H7 14 1
1 {} {0.659196687655 0.681221857814 0.264892102378} H8 15 1
1 {} {0.589831812828 0.701801992156 0.496630450793} H10 16 1
8 {} {0.267354677249 0.615186631663 0.602019720786} O 17 1
1 {} {0.340457795387 0.678736519317 0.599304541989} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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