./iterations/neb0_image06_iter227.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.47508360426 0.228560713634 0.487319295679} O1 1 1
14 {} {0.330767923753 0.216444176855 0.564909401493} Si1 2 1
14 {} {0.608297034319 0.320050937582 0.460618760096} Si2 3 1
8 {} {0.57548758429 0.47829622968 0.47912664131} O2 4 1
8 {} {0.294795572537 0.351950900511 0.651306166464} O3 5 1
14 {} {0.284529921212 0.516074681967 0.651448225628} Si3 6 1
14 {} {0.489117110336 0.613086846576 0.447882961708} Si4 7 1
1 {} {0.334486777471 0.105465128881 0.663295554358} H1 8 1
1 {} {0.225499368854 0.194071795888 0.462340257942} H2 9 1
1 {} {0.651461067909 0.299516710898 0.320101195217} H3 10 1
1 {} {0.713134582444 0.292048994386 0.56144526924} H4 11 1
1 {} {0.145766614544 0.54644090165 0.697080860004} H5 12 1
1 {} {0.383332016292 0.575778540224 0.743753174824} H6 13 1
1 {} {0.388599005223 0.811127173189 0.527443610928} H7 14 1
1 {} {0.469561429226 0.64997655673 0.305975042702} H8 15 1
1 {} {0.589162544991 0.715588405894 0.498262715312} H10 16 1
8 {} {0.329726074081 0.576709967924 0.503362358665} O 17 1
1 {} {0.321277706252 0.781329261693 0.505386639807} 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