cutoff         1.00000        15.00000         0.50000        60.00000
slab
region        12.00000        12.00000        60.00000        60.00000
stack
LATT    (area =     98.558)
       0.0000000000     5.5827311852     0.0000000000
       0.0000000000     0.0000000000    17.6541461097
       1.7654146110     0.0000000000    -5.2962438329
 Miller        3       1       0
 code         1
 BASI 
  NA    CORE     0.0000000000     5.5827311852    12.3579022768
  CL    CORE     0.0000000000     2.7913655926    12.3579022768
  NA    CORE     0.0000000000     5.5827311852     3.5308292219
  CL    CORE     0.0000000000     2.7913655926     3.5308292219
  NA    CORE     0.8827073055     2.7913655926     9.7097803603
  CL    CORE     0.8827073055     5.5827311852     9.7097803603
  NA    CORE     0.8827073055     2.7913655926     0.8827073055
  CL    CORE     0.8827073055     5.5827311852     0.8827073055
ends
Potential
spec
na 1.
cl -1.
ow -.8 16.0
h  .4
ends
buck
NA  core    OW core    2334.720   0.2387      0.0000
NA  core    CL core     2314.700   0.2903      0.0000
CL  core    CL core      1227.200   0.3214     29.0600
ends
morq H core OW core
 6.203713       2.220030 0.92367  1.0 1.4
ends
nmlj H core      OW core 9 6
 0.0555555           1.81712   1.4  20.0
ends
nmlj H  core      CL core     9           6
   0.0300000       2.38000
ends
nmlj CL core     OW core       12           6
 0.0450000    3.48000
ends
ends

vscale1 
4.0 0.0
0.0 1.0

surf
print dlpoly 2 reg2 2
region        12.00000        0.0  12.0 50.00000
adsorb
solvent depth 40. void 1. shif 1.
ends
dipole
coord ow core h core 1.4


start
minimise
conj 0
bfgs          0
newt          0
maxu         20
nokill
start
stop