./iterations/neb0_image07_iter50.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 {} {0.470440956195 0.218324286389 0.482252921223} O1 1 1
14 {} {0.33183680042 0.225075560448 0.57164649988} Si1 2 1
14 {} {0.598736284986 0.312961171488 0.442719051581} Si2 3 1
8 {} {0.548822558183 0.463813287018 0.401088209902} O2 4 1
8 {} {0.333710972563 0.355067347515 0.673104780561} O3 5 1
14 {} {0.297256898366 0.515554526359 0.680563496727} Si3 6 1
14 {} {0.501225306523 0.610649295309 0.455018749276} Si4 7 1
1 {} {0.328504715248 0.106475076843 0.659825959461} H1 8 1
1 {} {0.214844716718 0.234073027874 0.479139460939} H2 9 1
1 {} {0.663384685487 0.251119098726 0.324314996217} H3 10 1
1 {} {0.693815355611 0.329650131255 0.556902168666} H4 11 1
1 {} {0.148597578933 0.535697666054 0.677872674033} H5 12 1
1 {} {0.3523645899 0.570895098728 0.808129888104} H6 13 1
1 {} {0.34522523756 0.810553006359 0.417730549291} H7 14 1
1 {} {0.486772816999 0.683815038093 0.326569436192} H8 15 1
1 {} {0.600875925696 0.680325494418 0.541613453638} H10 16 1
8 {} {0.365787964957 0.590162410153 0.549525696364} O 17 1
1 {} {0.327882788387 0.778306437559 0.483039980898} 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
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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
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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