./iterations/neb0_image09_iter204.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.47208552042 0.215885867152 0.49389469505} O1 1 1
14 {} {0.333354596073 0.215158792758 0.581948276938} Si1 2 1
14 {} {0.605799793893 0.297456367455 0.444697988361} Si2 3 1
8 {} {0.568974929473 0.451934883053 0.402123818818} O2 4 1
8 {} {0.323065280849 0.349330893395 0.676952788886} O3 5 1
14 {} {0.29953279129 0.512086451772 0.673134646455} Si3 6 1
14 {} {0.511026297167 0.597295423412 0.452551303226} Si4 7 1
1 {} {0.335146441703 0.096832055727 0.67152160309} H1 8 1
1 {} {0.218336854755 0.212299194049 0.487202010554} H2 9 1
1 {} {0.65937051239 0.229081671394 0.324400718151} H3 10 1
1 {} {0.704865959231 0.301027219698 0.556013315564} H4 11 1
1 {} {0.154407904364 0.541728979424 0.659286087579} H5 12 1
1 {} {0.356562570191 0.568364754416 0.798472578815} H6 13 1
1 {} {0.317944218238 0.908031620264 0.428192139355} H7 14 1
1 {} {0.474092038129 0.674712052627 0.331527565155} H8 15 1
1 {} {0.614961443435 0.666259913963 0.534442822411} H10 16 1
8 {} {0.375166227845 0.578317458031 0.543135914817} O 17 1
1 {} {0.285392725854 0.856714346888 0.471559400489} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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