## page was renamed from AJMGrpOnly/orient/examples/water-globalminconfig
## page was renamed from ajm/orient/examples/water-globalminconfig
## page was renamed from ajmorientexampleswater-globalminconfig
#acl +All:read apw185:read,write,delete Known:read All:
<<TableOfContents()>>

== Water dimer: geometry specification ==
This is the format used for specifying the dimer using angle-axis coordinates. 

[[attachment:globalminconfig.geom]]

{{{
# Separations in Angstrom:
# INDEX  913  914  900  901    902  903  904  905  906  907  908  909  910  911  912
# R_OO = 2.2, 2.3, 2.4, 2.5, 2.9924 3.5  4.0  5.0  6.0  2.7, 2.8, 2.9, 3.1, 3.2, 3.3
#
# UNITS BOHR
# UNITS DEGREES
# LABELS  INDEX    Rx       Ry       Rz         alpha     Nx        Ny       Nz         
 900  -3.87665518855 0.0 -2.35390632223  133.12505 -0.637206  0.637207 -0.433515
 901  -4.03818248    0.0 -2.45198575     133.12505 -0.637206  0.637207 -0.433515
 902  -4.83352211    0.0 -2.93491622     133.12505 -0.637206  0.637207 -0.433515
 903  -5.65345548    0.0 -3.43278005     133.12505 -0.637206  0.637207 -0.433515
 904  -6.46109198    0.0 -3.92317720     133.12505 -0.637206  0.637207 -0.433515
 905  -8.07636497    0.0 -4.90397150     133.12505 -0.637206  0.637207 -0.433515
 906  -9.69163797    0.0 -5.88476580     133.12505 -0.637206  0.637207 -0.433515
 907  -4.36123708712 0.0 -2.64814461251  133.12505 -0.637206  0.637207 -0.433515
 908  -4.52276438665 0.0 -2.7462240426   133.12505 -0.637206  0.637207 -0.433515
 909  -4.68429168617 0.0 -2.84430347269  133.12505 -0.637206  0.637207 -0.433515
 910  -5.00734628521 0.0 -3.04046233288  133.12505 -0.637206  0.637207 -0.433515
 911  -5.16887358474 0.0 -3.13854176297  133.12505 -0.637206  0.637207 -0.433515
 912  -5.33040088426 0.0 -3.23662119306  133.12505 -0.637206  0.637207 -0.433515
 913  -3.55360058951 0.0 -2.15774746204  133.12505 -0.637206  0.637207 -0.433515
 914  -3.71512788903 0.0 -2.25582689213  133.12505 -0.637206  0.637207 -0.433515

}}}