./iterations/neb0_image05_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_image05

@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 {} {0.471367449426 0.225425684697 0.489769527504} O1 1 1
14 {} {0.332394699499 0.223266787009 0.575263366425} Si1 2 1
14 {} {0.590040931233 0.333389695359 0.445649552409} Si2 3 1
8 {} {0.531447518233 0.48213111672 0.419984084419} O2 4 1
8 {} {0.326404052051 0.357022622479 0.674725865351} O3 5 1
14 {} {0.287650137564 0.51449186053 0.682310010727} Si3 6 1
14 {} {0.500735451223 0.64829960228 0.428455526092} Si4 7 1
1 {} {0.326296230983 0.100701989898 0.660668145822} H1 8 1
1 {} {0.214953151767 0.231245568869 0.483933618745} H2 9 1
1 {} {0.649922379915 0.279616394975 0.320916903335} H3 10 1
1 {} {0.688178630966 0.331430757255 0.557872816797} H4 11 1
1 {} {0.142141297413 0.540432640111 0.673442475692} H5 12 1
1 {} {0.357509212655 0.574436996083 0.798024939451} H6 13 1
1 {} {0.403535082306 0.773963391392 0.435410929269} H7 14 1
1 {} {0.531337286256 0.674589628185 0.284588379014} H8 15 1
1 {} {0.599214712037 0.69638645337 0.528966973461} H10 16 1
8 {} {0.34146909821 0.59574187302 0.543645167429} O 17 1
1 {} {0.315488777951 0.689944872739 0.52742971134} 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