./iterations/neb0_image08_iter69.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.47195331866 0.217257140965 0.488406416904} O1 1 1
14 {} {0.334182604347 0.221134923996 0.578111504919} Si1 2 1
14 {} {0.601826242479 0.306551491411 0.443951690897} Si2 3 1
8 {} {0.556397590983 0.45872569057 0.401819439781} O2 4 1
8 {} {0.33098268755 0.354255445359 0.674349309606} O3 5 1
14 {} {0.29803466545 0.515530768817 0.675023103228} Si3 6 1
14 {} {0.503397858036 0.604539742591 0.454008114451} Si4 7 1
1 {} {0.331124915864 0.10178742501 0.66583960162} H1 8 1
1 {} {0.218015300689 0.224966738274 0.485754547094} H2 9 1
1 {} {0.66284292684 0.243857616581 0.324332345174} H3 10 1
1 {} {0.696254939962 0.317063835647 0.558336154892} H4 11 1
1 {} {0.151666814697 0.537744638612 0.664919759213} H5 12 1
1 {} {0.355699643994 0.573451040735 0.799112661489} H6 13 1
1 {} {0.333231812223 0.837750548323 0.415240330121} H7 14 1
1 {} {0.473412473811 0.683862036947 0.332226656054} H8 15 1
1 {} {0.606323340701 0.670227852272 0.539448696472} H10 16 1
8 {} {0.36677207232 0.586540412185 0.543724249637} O 17 1
1 {} {0.317966914393 0.817270626192 0.486453407515} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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