./iterations/neb0_image01_iter204.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464115638418 0.25584165471 0.477561551332} O1 1 1
14 {} {0.327343398627 0.251025994448 0.56788019051} Si1 2 1
14 {} {0.597140832479 0.336628469828 0.426708581949} Si2 3 1
8 {} {0.556345205777 0.476899891911 0.351696305348} O2 4 1
8 {} {0.323932241662 0.375087166692 0.675186953916} O3 5 1
14 {} {0.255355085994 0.512919537395 0.733025339581} Si3 6 1
14 {} {0.538660523638 0.640147565359 0.361450704304} Si4 7 1
1 {} {0.328079864327 0.12363322128 0.644090791702} H1 8 1
1 {} {0.210439144343 0.259432331313 0.47618125404} H2 9 1
1 {} {0.666004666072 0.250478967691 0.327731290655} H3 10 1
1 {} {0.683826362677 0.367911806366 0.543705359623} H4 11 1
1 {} {0.109171501343 0.494107858593 0.750705342609} H5 12 1
1 {} {0.324924277831 0.541732147573 0.86133017544} H6 13 1
1 {} {0.402265008972 0.678200473073 0.315515216669} H7 14 1
1 {} {0.641267865745 0.70727016991 0.276929900474} H8 15 1
1 {} {0.55558723129 0.685192838101 0.503732400942} H10 16 1
8 {} {0.26889178323 0.639039638206 0.627099985786} O 17 1
1 {} {0.356735284798 0.67696809077 0.610526544514} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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