./iterations/neb0_image06_iter285.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 {} {0.46801255928 0.259207329513 0.486649204325} O1 1 1
14 {} {0.32173057908 0.227978503172 0.557126372845} Si1 2 1
14 {} {0.607674148884 0.344077605411 0.474299545647} Si2 3 1
8 {} {0.588208291313 0.4936922139 0.541977470273} O2 4 1
8 {} {0.243226924832 0.353520250937 0.630206742011} O3 5 1
14 {} {0.270579947162 0.513165708696 0.660430667164} Si3 6 1
14 {} {0.494904397537 0.610815806408 0.469637237023} Si4 7 1
1 {} {0.342992360461 0.129923132368 0.665947288523} H1 8 1
1 {} {0.24025193061 0.172472361001 0.445616040732} H2 9 1
1 {} {0.636200717731 0.365054400972 0.329698469704} H3 10 1
1 {} {0.717488128588 0.275202248176 0.547246210277} H4 11 1
1 {} {0.145427904696 0.572256740681 0.71631262097} H5 12 1
1 {} {0.377720860163 0.544130172102 0.757164592946} H6 13 1
1 {} {0.409320703512 0.775959639916 0.480324699578} H7 14 1
1 {} {0.473460858648 0.601509712932 0.324322131078} H8 15 1
1 {} {0.59764929021 0.722435602243 0.469810439293} H10 16 1
8 {} {0.331429548562 0.572822559129 0.521374687678} O 17 1
1 {} {0.343806962983 0.738294242534 0.452913975545} 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