./iterations/neb0_image03_iter42.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468493084378 0.232666544199 0.480163330154} O1 1 1
14 {} {0.331574280842 0.239774828773 0.567854347227} Si1 2 1
14 {} {0.59179283724 0.330688591951 0.434928875094} Si2 3 1
8 {} {0.531253481172 0.474229025359 0.386532576574} O2 4 1
8 {} {0.333116505698 0.37551474056 0.659979101663} O3 5 1
14 {} {0.274340536596 0.519963463125 0.705589652789} Si3 6 1
14 {} {0.526625920187 0.640985213329 0.389085164163} Si4 7 1
1 {} {0.327914176038 0.121636380647 0.656855970095} H1 8 1
1 {} {0.214718272259 0.240608518948 0.476795850834} H2 9 1
1 {} {0.660519242295 0.259769867485 0.325906061381} H3 10 1
1 {} {0.685709109163 0.344789870031 0.548229843149} H4 11 1
1 {} {0.12541137205 0.514287975442 0.719409735071} H5 12 1
1 {} {0.339902789124 0.558386542931 0.834721287134} H6 13 1
1 {} {0.389094053829 0.695913760061 0.379667631283} H7 14 1
1 {} {0.599090760019 0.694843904656 0.268378219251} H8 15 1
1 {} {0.582987034681 0.687908969185 0.522048302977} H10 16 1
8 {} {0.313741176914 0.620988508317 0.584162844573} O 17 1
1 {} {0.31380148396 0.719561262788 0.590749190523} 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