./iterations/neb0_image04_iter293.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.469464141916 0.260782565586 0.490387152527} O1 1 1
14 {} {0.326338812732 0.232363868551 0.566343310915} Si1 2 1
14 {} {0.602991660499 0.346181147773 0.450845134995} Si2 3 1
8 {} {0.564944139481 0.505462401615 0.440805564342} O2 4 1
8 {} {0.280967582018 0.353647549542 0.66628967343} O3 5 1
14 {} {0.231803398917 0.507775565199 0.696343454487} Si3 6 1
14 {} {0.590504458863 0.664345459185 0.406221134512} Si4 7 1
1 {} {0.344089350459 0.110929270912 0.652161867043} H1 8 1
1 {} {0.224476102589 0.209192277926 0.457508636638} H2 9 1
1 {} {0.651217388006 0.296638095248 0.319312098539} H3 10 1
1 {} {0.705821634389 0.327272273412 0.556839296342} H4 11 1
1 {} {0.108679808589 0.500597124137 0.780674042075} H5 12 1
1 {} {0.342594530059 0.577617015685 0.768246234065} H6 13 1
1 {} {0.473026855761 0.743010389616 0.45531959128} H7 14 1
1 {} {0.603767836982 0.68337592031 0.258626352039} H8 15 1
1 {} {0.715003232845 0.710763811272 0.474487289742} H10 16 1
8 {} {0.201242081531 0.574933775545 0.54862745204} O 17 1
1 {} {0.173152905195 0.667629224457 0.542020073384} 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