./iterations/neb0_image05_iter125.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 {} {0.470957789379 0.227441736429 0.488031153197} O1 1 1
14 {} {0.330871246067 0.224076689794 0.571056455447} Si1 2 1
14 {} {0.592811474479 0.333192214503 0.449034746232} Si2 3 1
8 {} {0.535497481751 0.484568517103 0.433604715576} O2 4 1
8 {} {0.321763058768 0.358296580117 0.667686931424} O3 5 1
14 {} {0.282891650464 0.515438692841 0.678733907748} Si3 6 1
14 {} {0.510807832818 0.651525868425 0.429281645226} Si4 7 1
1 {} {0.329711077438 0.10549502025 0.660754849649} H1 8 1
1 {} {0.213796802886 0.224135130655 0.478281535155} H2 9 1
1 {} {0.650693746151 0.278027191247 0.323186546449} H3 10 1
1 {} {0.695935546445 0.328718123587 0.557341311133} H4 11 1
1 {} {0.136977619054 0.533444340213 0.691682851902} H5 12 1
1 {} {0.360588237166 0.578416625715 0.787795574151} H6 13 1
1 {} {0.416180422301 0.77428731508 0.446714245439} H7 14 1
1 {} {0.523222956817 0.673200671141 0.281910885977} H8 15 1
1 {} {0.615064763972 0.696732630462 0.524096560785} H10 16 1
8 {} {0.323630150729 0.595346530479 0.534931532873} O 17 1
1 {} {0.298684209008 0.690174040394 0.52693255614} 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