./iterations/neb0_image03_iter92.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.467247349976 0.235259216915 0.483853816603} O1 1 1
14 {} {0.32961169486 0.236579385958 0.573455125818} Si1 2 1
14 {} {0.58794335916 0.335408483472 0.434151176457} Si2 3 1
8 {} {0.526203261789 0.479344474496 0.386665258518} O2 4 1
8 {} {0.325841693626 0.366562671711 0.673795247418} O3 5 1
14 {} {0.270737424885 0.51615634844 0.711238774359} Si3 6 1
14 {} {0.533433220653 0.644154241992 0.383968143134} Si4 7 1
1 {} {0.328844910381 0.11397217613 0.657933568464} H1 8 1
1 {} {0.213216433431 0.238951032289 0.48041120111} H2 9 1
1 {} {0.654914351086 0.270977884167 0.318446148982} H3 10 1
1 {} {0.68259634145 0.354300587336 0.547634853232} H4 11 1
1 {} {0.122139471285 0.514079103795 0.722675842672} H5 12 1
1 {} {0.335410391396 0.557966716095 0.838347655517} H6 13 1
1 {} {0.398344109438 0.701916627329 0.361818910359} H7 14 1
1 {} {0.62007673023 0.68656323825 0.269035119236} H8 15 1
1 {} {0.593564188979 0.695738133042 0.511366600775} H10 16 1
8 {} {0.318114790815 0.615004314271 0.586528692129} O 17 1
1 {} {0.301846389582 0.709583320506 0.589731869506} 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