latt
       5.5827311852     0.0000000000     0.0000000000
       0.0000000000     5.5827311852     0.0000000000
       0.0000000000     0.0000000000     5.5827311852
basi
 NA    CORE     0.0000000000000     0.0000000000000     0.0000000000000
 NA    CORE     2.7913655926221     2.7913655926221     0.0000000000000
 NA    CORE     2.7913655926221     0.0000000000000     2.7913655926221
 NA    CORE     0.0000000000000     2.7913655926221     2.7913655926221
 CL    CORE     2.7913655926221     0.0000000000000     0.0000000000000
 CL    CORE     2.7913655926221     2.7913655926221     2.7913655926221
 CL    CORE     0.0000000000000     0.0000000000000     2.7913655926221
 CL    CORE     0.0000000000000     2.7913655926221     0.0000000000000
ends
pote
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
slab
miller 3 1 0
start
stackgen systematic
split
bfgs 0
newt 0
start                 
stop