./iterations/neb0_image05_iter149.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 {} {0.474066321355 0.230118185331 0.483370126413} O1 1 1
14 {} {0.331559783084 0.227506221077 0.567115831019} Si1 2 1
14 {} {0.596315468352 0.338150837602 0.455579937616} Si2 3 1
8 {} {0.534526100842 0.491457069365 0.466439658904} O2 4 1
8 {} {0.307137832118 0.363814391954 0.653959568149} O3 5 1
14 {} {0.262950051662 0.523431542846 0.670203041888} Si3 6 1
14 {} {0.540271044349 0.654700346678 0.436554445336} Si4 7 1
1 {} {0.334086217224 0.111056308138 0.662851329759} H1 8 1
1 {} {0.223660125092 0.207191695694 0.465748174306} H2 9 1
1 {} {0.650372627932 0.30659557483 0.320327113644} H3 10 1
1 {} {0.701583798095 0.317956919649 0.562089538173} H4 11 1
1 {} {0.128097048467 0.529705580233 0.733092998127} H5 12 1
1 {} {0.370891372389 0.586674442157 0.753160361227} H6 13 1
1 {} {0.442611101175 0.75630634016 0.496493174651} H7 14 1
1 {} {0.516913024815 0.660380904022 0.285546479586} H8 15 1
1 {} {0.667457240726 0.704251025985 0.490305326965} H10 16 1
8 {} {0.255878458853 0.583178923291 0.516548462896} O 17 1
1 {} {0.271708411561 0.680041609849 0.511672530407} 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