iterations/neb0_image07_iter82.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 {} {0.470416733447 0.221072868342 0.488410548041} O1 1 1
14 {} {0.331547872168 0.223955736642 0.57674520358} Si1 2 1
14 {} {0.599260513727 0.312776454086 0.444328363935} Si2 3 1
8 {} {0.552810293641 0.464068742622 0.403208534484} O2 4 1
8 {} {0.328241050169 0.353530493475 0.678247599377} O3 5 1
14 {} {0.29907959162 0.515879361895 0.678216544507} Si3 6 1
14 {} {0.503942690858 0.610844891675 0.454292787352} Si4 7 1
1 {} {0.326573658692 0.101719412112 0.660008595846} H1 8 1
1 {} {0.217172147156 0.232047381879 0.482174235734} H2 9 1
1 {} {0.661119704186 0.256427847551 0.321761797487} H3 10 1
1 {} {0.692725191239 0.32274007772 0.560197564121} H4 11 1
1 {} {0.152243557692 0.540164260541 0.669354229567} H5 12 1
1 {} {0.354945864469 0.5696655345 0.805579366806} H6 13 1
1 {} {0.351859829857 0.818529578703 0.42434415196} H7 14 1
1 {} {0.481845006023 0.683330283589 0.326831935641} H8 15 1
1 {} {0.605228133831 0.681450202293 0.537370069778} H10 16 1
8 {} {0.369496818178 0.587485367506 0.547612020553} O 17 1
1 {} {0.311577468356 0.776829469683 0.472374398476} 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