./iterations/neb0_image01_iter212.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 {} {0.463419807513 0.257076259955 0.478171995942} O1 1 1
14 {} {0.32732952417 0.25059252779 0.568911465255} Si1 2 1
14 {} {0.596648321694 0.337164874039 0.426421296313} Si2 3 1
8 {} {0.556061033454 0.477076703349 0.350614494827} O2 4 1
8 {} {0.322978430306 0.374011347468 0.677654345063} O3 5 1
14 {} {0.254619814749 0.512618254203 0.733175011269} Si3 6 1
14 {} {0.539281252251 0.640567751097 0.360365274974} Si4 7 1
1 {} {0.329286601153 0.122659456023 0.644296416506} H1 8 1
1 {} {0.210118809623 0.259385581832 0.477598667101} H2 9 1
1 {} {0.665333548808 0.250578703412 0.327746221222} H3 10 1
1 {} {0.683634675295 0.368978220154 0.543020704772} H4 11 1
1 {} {0.108206654531 0.493997127633 0.750407029154} H5 12 1
1 {} {0.323564304185 0.542862447375 0.861523072337} H6 13 1
1 {} {0.404077560437 0.678848624829 0.312578630331} H7 14 1
1 {} {0.64386004422 0.707294927581 0.277544770452} H8 15 1
1 {} {0.55439541838 0.685263084581 0.503141690762} H10 16 1
8 {} {0.269515649424 0.637619719509 0.626251522296} O 17 1
1 {} {0.357754460357 0.675922184177 0.611635272432} 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