./iterations/neb0_image07_iter207.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.474198863322 0.230981026989 0.495404874122} O1 1 1
14 {} {0.333925941753 0.217596288764 0.580925386496} Si1 2 1
14 {} {0.616429368029 0.300755140243 0.452117558914} Si2 3 1
8 {} {0.599442891749 0.461793705973 0.423562146455} O2 4 1
8 {} {0.306991046544 0.348475052017 0.67756535869} O3 5 1
14 {} {0.290295664251 0.510397103413 0.651480971101} Si3 6 1
14 {} {0.49540054924 0.589087562052 0.434019294452} Si4 7 1
1 {} {0.345260471736 0.0985993246984 0.6690893368} H1 8 1
1 {} {0.221837840442 0.206081401166 0.482521177917} H2 9 1
1 {} {0.661572919555 0.233794975535 0.326791341181} H3 10 1
1 {} {0.715043682166 0.286570394165 0.562894908691} H4 11 1
1 {} {0.14739905711 0.550426711215 0.650128878347} H5 12 1
1 {} {0.368414554223 0.580832954945 0.756847528283} H6 13 1
1 {} {0.343029772176 0.919972631132 0.504991075021} H7 14 1
1 {} {0.468460580676 0.635883858199 0.295103296085} H8 15 1
1 {} {0.556348825292 0.692806805459 0.522589170113} H10 16 1
8 {} {0.350416056941 0.546174532956 0.501700109641} O 17 1
1 {} {0.315617832397 0.862288345331 0.54332537817} 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