./iterations/neb0_image05_iter247.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 {} {0.472057201644 0.257981453116 0.491037341185} O1 1 1
14 {} {0.324951396557 0.229092699924 0.559118930771} Si1 2 1
14 {} {0.608259841929 0.34644698557 0.47130156608} Si2 3 1
8 {} {0.580692329395 0.503250660202 0.514204506072} O2 4 1
8 {} {0.265789180555 0.36569432201 0.62564244755} O3 5 1
14 {} {0.236323952103 0.523740807725 0.659117500703} Si3 6 1
14 {} {0.573960805265 0.656998727851 0.453251140876} Si4 7 1
1 {} {0.338770526845 0.126043969769 0.666192658973} H1 8 1
1 {} {0.234146450274 0.182252444604 0.450659739574} H2 9 1
1 {} {0.648313518395 0.33697490651 0.32757055127} H3 10 1
1 {} {0.714644195338 0.28959230152 0.558194967711} H4 11 1
1 {} {0.136600408486 0.530305794389 0.769570497264} H5 12 1
1 {} {0.363483585042 0.590473457012 0.69468791736} H6 13 1
1 {} {0.511518332994 0.749365851254 0.551823602773} H7 14 1
1 {} {0.485694200133 0.652361477375 0.331757378591} H8 15 1
1 {} {0.710532344143 0.707755889093 0.421395493211} H10 16 1
8 {} {0.171368551377 0.604889000617 0.529459552288} O 17 1
1 {} {0.232979211641 0.619297330092 0.456072399086} 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