./iterations/neb0_image05_iter90.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 {} {0.471256402799 0.225051417196 0.489416794279} O1 1 1
14 {} {0.332576616882 0.223444311836 0.575262714696} Si1 2 1
14 {} {0.589793937128 0.33347989701 0.445170398515} Si2 3 1
8 {} {0.531048345999 0.481741335881 0.419962705015} O2 4 1
8 {} {0.326577578041 0.357107441447 0.674993245593} O3 5 1
14 {} {0.287809555312 0.514735549395 0.682551210673} Si3 6 1
14 {} {0.500887511703 0.647982667933 0.428579448231} Si4 7 1
1 {} {0.326257046166 0.100841215185 0.661058470879} H1 8 1
1 {} {0.21489875823 0.231536718642 0.483815904247} H2 9 1
1 {} {0.650175347632 0.279669600894 0.320665106998} H3 10 1
1 {} {0.687626136882 0.332199152598 0.557607082592} H4 11 1
1 {} {0.142211070845 0.540700548974 0.67330853239} H5 12 1
1 {} {0.357033775487 0.574286705909 0.79896638827} H6 13 1
1 {} {0.40241721481 0.773140112869 0.435387236268} H7 14 1
1 {} {0.53181283359 0.674554620924 0.284814417964} H8 15 1
1 {} {0.598866773886 0.696283262714 0.529101325214} H10 16 1
8 {} {0.342394627831 0.595797987189 0.544015512958} O 17 1
1 {} {0.316442566878 0.689965389117 0.526381496643} 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