iterations/neb0_image08_iter53.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471702300136 0.214753828493 0.487179463717} O1 1 1
14 {} {0.333912345108 0.220902472169 0.57783899946} Si1 2 1
14 {} {0.601401791233 0.306329859958 0.443611526363} Si2 3 1
8 {} {0.555555885301 0.458589832954 0.40114973727} O2 4 1
8 {} {0.332413361687 0.35524828271 0.673957501296} O3 5 1
14 {} {0.297515641449 0.516412361445 0.674123650703} Si3 6 1
14 {} {0.503372854238 0.604810049506 0.453719253247} Si4 7 1
1 {} {0.333173460855 0.103575655221 0.668918990866} H1 8 1
1 {} {0.215989524951 0.223663157606 0.485737156006} H2 9 1
1 {} {0.662273485433 0.241766822006 0.3245641512} H3 10 1
1 {} {0.697694634323 0.319546351699 0.557205002477} H4 11 1
1 {} {0.149789038698 0.537257726004 0.666967892038} H5 12 1
1 {} {0.353496150261 0.573996466204 0.799929441755} H6 13 1
1 {} {0.333210906461 0.834798259584 0.414511293366} H7 14 1
1 {} {0.47786887202 0.681919556157 0.330206823208} H8 15 1
1 {} {0.605208435988 0.671234112567 0.539590412943} H10 16 1
8 {} {0.365424534677 0.588422407657 0.543520113451} O 17 1
1 {} {0.320082903359 0.819290761741 0.488326590571} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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