iterations/neb0_image06_iter93.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470132091309 0.223222470667 0.490698660726} O1 1 1
14 {} {0.331031533839 0.223124130503 0.578082334203} Si1 2 1
14 {} {0.594989304645 0.321282072309 0.44511970129} Si2 3 1
8 {} {0.547138152784 0.471377026772 0.408232055678} O2 4 1
8 {} {0.325291211479 0.353235758084 0.679965726781} O3 5 1
14 {} {0.294760678951 0.514919609459 0.67753983304} Si3 6 1
14 {} {0.497634156003 0.621431610722 0.447399781002} Si4 7 1
1 {} {0.327030264896 0.100098840277 0.662109028183} H1 8 1
1 {} {0.215002173813 0.230671120328 0.484148658721} H2 9 1
1 {} {0.654111640982 0.26878733804 0.319995640249} H3 10 1
1 {} {0.690609145238 0.328567692473 0.558878004946} H4 11 1
1 {} {0.147727789136 0.540489209242 0.669998636607} H5 12 1
1 {} {0.354610036471 0.57160202574 0.801525589017} H6 13 1
1 {} {0.366786776216 0.795374156202 0.435678402978} H7 14 1
1 {} {0.504899302254 0.678685937249 0.306607075401} H8 15 1
1 {} {0.595594990113 0.694992939182 0.532077127218} H10 16 1
8 {} {0.362952789092 0.583846641089 0.544291522762} O 17 1
1 {} {0.329784060732 0.750809397916 0.48871021916} 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