iterations/neb0_image04_iter226.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465092309852 0.2600215492 0.489188004153} O1 1 1
14 {} {0.325650343484 0.229027623776 0.569144233296} Si1 2 1
14 {} {0.594710640052 0.349190500366 0.44656370655} Si2 3 1
8 {} {0.552558254016 0.50457135571 0.423939624081} O2 4 1
8 {} {0.287958729193 0.347493633435 0.677262816109} O3 5 1
14 {} {0.245246353731 0.504045585228 0.703341569884} Si3 6 1
14 {} {0.575741352316 0.665264259457 0.400226380292} Si4 7 1
1 {} {0.343075554538 0.102853184926 0.64654405848} H1 8 1
1 {} {0.217198567379 0.21502147638 0.467416699174} H2 9 1
1 {} {0.646749330561 0.291792198047 0.321223384508} H3 10 1
1 {} {0.698250480245 0.343958826201 0.552130712661} H4 11 1
1 {} {0.104243396945 0.514398009167 0.753584114666} H5 12 1
1 {} {0.345151535087 0.558537408499 0.800707930106} H6 13 1
1 {} {0.447629933747 0.734521831973 0.429760584603} H7 14 1
1 {} {0.615202980784 0.691269359296 0.258568115484} H8 15 1
1 {} {0.686471296932 0.715699791029 0.487271556516} H10 16 1
8 {} {0.254984471216 0.581110882809 0.557058367629} O 17 1
1 {} {0.204170454115 0.663740368925 0.547126334041} 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