element(s):
['I', 'Na']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.4903']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['I', 'Na']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6.4903, 0, 0], [0, 6.4903, 0], [0, 0, 6.4903]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:12:08      -35.296545         5.834631
BFGS:    1 12:12:08      -36.172653         5.843524
BFGS:    2 12:12:08      -37.048542         5.831194
BFGS:    3 12:12:08      -37.920788         5.794383
BFGS:    4 12:12:08      -38.785450         5.729422
BFGS:    5 12:12:08      -39.640441         5.650619
BFGS:    6 12:12:09      -40.479831         5.536348
BFGS:    7 12:12:09      -41.297749         5.361738
BFGS:    8 12:12:09      -42.085952         5.139104
BFGS:    9 12:12:09      -42.836747         4.861785
BFGS:   10 12:12:09      -43.541380         4.522276
BFGS:   11 12:12:09      -44.189899         4.112120
BFGS:   12 12:12:09      -44.773577         3.649452
BFGS:   13 12:12:09      -45.278710         3.069549
BFGS:   14 12:12:09      -45.689297         2.386701
BFGS:   15 12:12:09      -45.989195         1.589726
BFGS:   16 12:12:09      -46.159560         0.658432
BFGS:   17 12:12:09      -46.190442         0.089001
BFGS:   18 12:12:09      -46.190977         0.004131
BFGS:   19 12:12:09      -46.190978         0.000024
BFGS:   20 12:12:09      -46.190978         0.000000
Minimization converged after 20 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.433874709816125e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I', 'I', 'I', 'Na', 'Na', 'Na', 'Na']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.41189847e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.05968556e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.41189847e-49 4.70594923e-49]
 [0.00000000e+00 5.00000000e-01 1.05968556e-33]
 [2.35297462e-49 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.815853351946769, -4.066758305405655e-32, -2.4707609293429e-32], [-4.826973586625413e-32, 5.81585335194677, -4.207010984051498e-17], [1.31403503922139e-32, -4.2070109840515027e-17, 5.815853351946771]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.43387471e-10 -2.43387471e-10 -2.43387471e-10 -6.39440485e-27
 -8.88425322e-58 -2.67691747e-60]
energy per atom =  -5.7738722803656986
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0