./iterations/neb0_image01_iter96.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 {} {0.46739866632 0.242458857001 0.473363296935} O1 1 1
14 {} {0.328054514655 0.249412692849 0.560150012838} Si1 2 1
14 {} {0.598260329174 0.332013470048 0.43021807463} Si2 3 1
8 {} {0.552180128308 0.475493673113 0.36608576974} O2 4 1
8 {} {0.331707798421 0.380019442891 0.659661924005} O3 5 1
14 {} {0.262746563564 0.515026115956 0.72374581882} Si3 6 1
14 {} {0.531403350952 0.638518935928 0.372670085356} Si4 7 1
1 {} {0.320019823505 0.126012157642 0.642803521162} H1 8 1
1 {} {0.213428767929 0.259484304752 0.465501811252} H2 9 1
1 {} {0.671161475281 0.255946457902 0.325677391615} H3 10 1
1 {} {0.683013048807 0.356350560213 0.550384583993} H4 11 1
1 {} {0.118094979604 0.489434503817 0.747693514455} H5 12 1
1 {} {0.338810096435 0.546279506355 0.847908407787} H6 13 1
1 {} {0.389147715949 0.671573526069 0.342790652035} H7 14 1
1 {} {0.620937619334 0.703813823725 0.273140375164} H8 15 1
1 {} {0.564699105518 0.689712441111 0.50958660997} H10 16 1
8 {} {0.268402607581 0.643890914908 0.62115459985} O 17 1
1 {} {0.350619546972 0.697076561611 0.618521544379} 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