./iterations/neb0_image05_iter145.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.472756545787 0.23079634042 0.482940920464} O1 1 1
14 {} {0.332822024093 0.225841500877 0.567450781073} Si1 2 1
14 {} {0.595681653466 0.334895552138 0.453853186301} Si2 3 1
8 {} {0.535541950672 0.488105747534 0.459492985173} O2 4 1
8 {} {0.310347195872 0.363649197381 0.65585101689} O3 5 1
14 {} {0.268488023555 0.51981026592 0.674417427045} Si3 6 1
14 {} {0.531152522476 0.652443634204 0.43298402239} Si4 7 1
1 {} {0.332389077191 0.109755898029 0.662864920737} H1 8 1
1 {} {0.221729313075 0.211246293937 0.468754966746} H2 9 1
1 {} {0.65086803945 0.29871110726 0.320738881142} H3 10 1
1 {} {0.699461704798 0.322768904405 0.559476993043} H4 11 1
1 {} {0.12694021678 0.530859539644 0.723046134506} H5 12 1
1 {} {0.370553012197 0.586175551059 0.763684029838} H6 13 1
1 {} {0.436364336481 0.765250044451 0.483914796124} H7 14 1
1 {} {0.518518219842 0.661738799242 0.284975707346} H8 15 1
1 {} {0.655692146785 0.703104650313 0.501260560983} H10 16 1
8 {} {0.274177409402 0.585222625803 0.519779690826} O 17 1
1 {} {0.276602644621 0.682142262548 0.515571051397} 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