./iterations/neb0_image06_iter13.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 {} {0.469172156923 0.226768434349 0.484226326753} O1 1 1
14 {} {0.331783095215 0.228878583572 0.573617465604} Si1 2 1
14 {} {0.603629483055 0.30977114961 0.439648147673} Si2 3 1
8 {} {0.558735866097 0.461343911411 0.385082700878} O2 4 1
8 {} {0.331380459044 0.362905584494 0.670995728506} O3 5 1
14 {} {0.284029087513 0.520092330262 0.690212973601} Si3 6 1
14 {} {0.50612524821 0.615979380687 0.426021929216} Si4 7 1
1 {} {0.33182433839 0.112221392538 0.664946599974} H1 8 1
1 {} {0.215255914466 0.231414626475 0.480390722242} H2 9 1
1 {} {0.666423182262 0.236284231187 0.326733342886} H3 10 1
1 {} {0.696223268054 0.325953514129 0.555497091145} H4 11 1
1 {} {0.129203994692 0.512757082606 0.702963735408} H5 12 1
1 {} {0.343569211136 0.554531246469 0.829130409131} H6 13 1
1 {} {0.344641921859 0.801823502496 0.409684391487} H7 14 1
1 {} {0.539669454231 0.689112383988 0.291800738275} H8 15 1
1 {} {0.591623730823 0.678642855049 0.530127023214} H10 16 1
8 {} {0.339385080269 0.619770681503 0.565282207145} O 17 1
1 {} {0.327410656379 0.784267068615 0.50469646628} 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