element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6652']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.6652, 0, 0], [0, 5.6652, 0], [0, 0, 5.6652]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:01:56     -226.621155         6.092495
BFGS:    1 17:01:57     -227.479841         5.347645
BFGS:    2 17:01:57     -228.222667         4.547169
BFGS:    3 17:01:58     -228.841048         3.687816
BFGS:    4 17:01:58     -229.325897         2.766154
BFGS:    5 17:01:59     -229.671634         1.816115
BFGS:    6 17:01:59     -229.866643         0.778425
BFGS:    7 17:02:00     -229.907346         0.062028
BFGS:    8 17:02:00     -229.907598         0.001458
BFGS:    9 17:02:01     -229.907598         0.000003
BFGS:   10 17:02:01     -229.907598         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.6800176154833743e-29 eV/Angstrom
Maximum stress component: 1.0351134072885962e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.94447405e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.70991498e-51 1.97373824e-48]
 [3.70075919e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.546654594105678, 7.512247518532054e-34, 7.060849288118476e-32], [-8.472945714121265e-33, 5.546654594105678, 4.8411183707193585e-18], [2.3577576132104248e-32, 4.8411183707194455e-18, 5.546654594105678]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.37553896e-30  2.20600089e-29 -2.27892654e-30]
 [-3.60070394e-30 -1.88011440e-29 -1.63626926e-29]
 [ 3.24462167e-30  2.22423231e-29  1.58613287e-29]
 [-6.38099432e-30 -2.40882536e-29  8.75107793e-30]
 [ 3.46396835e-30  1.98722395e-29  1.11211615e-29]
 [ 2.39572153e-30 -1.70235813e-29  7.83950731e-30]
 [ 2.91702598e-30 -1.82086231e-29 -1.01526178e-29]
 [ 5.41814786e-30  2.68001762e-29 -8.05600533e-30]]
stress =  [-1.03511341e-11 -1.03511341e-11 -1.03511341e-11  2.52208653e-27
  1.33547869e-34 -3.22343691e-50]
energy per atom =  -14.369224860958441
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0