./iterations/neb0_image06_iter81.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 {} {0.469277746351 0.223474347471 0.488431658636} O1 1 1
14 {} {0.330989754048 0.224832101103 0.577686161936} Si1 2 1
14 {} {0.594100947805 0.319593008167 0.443917214482} Si2 3 1
8 {} {0.542765281259 0.468971179597 0.408728760711} O2 4 1
8 {} {0.325988690587 0.354395290144 0.678863744129} O3 5 1
14 {} {0.295711380717 0.51595035075 0.679164773433} Si3 6 1
14 {} {0.498906095433 0.620917385596 0.448278182927} Si4 7 1
1 {} {0.327272090489 0.103879830302 0.662889835232} H1 8 1
1 {} {0.216300128226 0.231413969346 0.484029987286} H2 9 1
1 {} {0.65536011501 0.269481880569 0.318868302781} H3 10 1
1 {} {0.68842991288 0.332605797863 0.557340029299} H4 11 1
1 {} {0.148116695841 0.53983960398 0.673414607307} H5 12 1
1 {} {0.350967069205 0.569958045509 0.807015814667} H6 13 1
1 {} {0.367969684651 0.788902040535 0.428608723319} H7 14 1
1 {} {0.505292154903 0.679944794523 0.310441019441} H8 15 1
1 {} {0.597906925628 0.693765951157 0.533267479019} H10 16 1
8 {} {0.365388272794 0.586729528383 0.547792293543} O 17 1
1 {} {0.329343162033 0.747862863865 0.482319401208} 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