./iterations/neb0_image01_iter101.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 {} {0.46732412354 0.24268590482 0.473348372855} O1 1 1
14 {} {0.328039122846 0.24948376475 0.560325193693} Si1 2 1
14 {} {0.598259469057 0.3320471592 0.430227953215} Si2 3 1
8 {} {0.552380392964 0.475634778228 0.365579859409} O2 4 1
8 {} {0.331570520901 0.379949635986 0.659947041526} O3 5 1
14 {} {0.262562364784 0.514913898613 0.724215645778} Si3 6 1
14 {} {0.531426196409 0.638562351286 0.372307926345} Si4 7 1
1 {} {0.320153648449 0.126010946424 0.642869615937} H1 8 1
1 {} {0.213382786952 0.259416915916 0.465655871417} H2 9 1
1 {} {0.670968796606 0.255685419416 0.325748918139} H3 10 1
1 {} {0.68328069266 0.356670768937 0.550361332702} H4 11 1
1 {} {0.117932375251 0.489756705258 0.747793052597} H5 12 1
1 {} {0.33844910461 0.54592732629 0.84862511025} H6 13 1
1 {} {0.389475134968 0.671812859331 0.342138447033} H7 14 1
1 {} {0.621434361546 0.7040187017 0.273107311628} H8 15 1
1 {} {0.564532521754 0.689556606561 0.509546024112} H10 16 1
8 {} {0.26881012691 0.644535201724 0.621173826516} O 17 1
1 {} {0.350104397246 0.695849005425 0.618086495018} 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