cutoff         1.00000        15.00000         0.50000        60.00000
surf
region         10.00000         10.00000        100.00000        100.00000
stack
LATT    (area =     15.274)
       0.0000000000     3.9081773527     0.0000000000
       0.0000000000     0.0000000000     3.9081773527
       3.9081773527     0.0000000000     0.0000000000
 Miller        1       0       0
 code         1
 BASI 
  SR    CORE     0.0000000000     3.9081773527     3.9081773527
  O     CORE     0.0000000000     1.9540886764     1.9540886764
  O     SHEL     0.0000000000     1.9540886764     1.9540886764
  TI    CORE     1.9540886764     1.9540886764     1.9540886764
  O     CORE     1.9540886764     1.9540886764     3.9081773527
  O     SHEL     1.9540886764     1.9540886764     3.9081773527
  O     CORE     1.9540886764     3.9081773527     1.9540886764
  O     SHEL     1.9540886764     3.9081773527     1.9540886764
ends
Potential
spec
sr core 2.
ti core 4.
o core 0.848
o shel -2.848
ends
buck sr core o shel
1952.390 0.33685 19.22
ends
buck ti core o shel
4843.66 0.266168 0.0
ends
buck o shel o shel
22764.3 0.1490 27.88
ends
harm o core o shel 318.05
ends
bulk
start
minimise
conj 1
bfgs 0
newt 0
maxu 10
nokill
start
meta
surf
start
minimise
conj 0
bfgs         20
newt        600
maxu         20
nokill
start

stop