element(s):
['Cr', 'Fe']
AFLOW prototype label:
AB2_cF24_227_a_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.3383']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.    0.    0.   ]
 [0.625 0.625 0.625]]
spacegroup =  227
cell =  [[7.3383, 0, 0], [0, 7.3383, 0], [0, 0, 7.3383]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:16:19     -208.362853        8.6910
BFGS:    1 17:16:19     -209.658973        8.5893
BFGS:    2 17:16:19     -210.939226        8.4794
BFGS:    3 17:16:19     -212.202382        8.3612
BFGS:    4 17:16:19     -213.447156        8.2343
BFGS:    5 17:16:19     -214.672209        8.0982
BFGS:    6 17:16:20     -215.876148        7.9527
BFGS:    7 17:16:20     -217.057519        7.7973
BFGS:    8 17:16:20     -218.214809        7.6315
BFGS:    9 17:16:20     -219.346440        7.4551
BFGS:   10 17:16:20     -220.450771        7.2674
BFGS:   11 17:16:20     -221.526090        7.0682
BFGS:   12 17:16:20     -222.570618        6.8568
BFGS:   13 17:16:20     -223.582499        6.6328
BFGS:   14 17:16:20     -224.559803        6.3957
BFGS:   15 17:16:20     -225.500520        6.1449
BFGS:   16 17:16:20     -226.402556        5.8799
BFGS:   17 17:16:20     -227.263734        5.6000
BFGS:   18 17:16:20     -228.081788        5.3048
BFGS:   19 17:16:20     -228.854358        4.9934
BFGS:   20 17:16:20     -229.578988        4.6654
BFGS:   21 17:16:20     -230.253123        4.3201
BFGS:   22 17:16:20     -230.874303        3.9629
BFGS:   23 17:16:20     -231.440320        3.5808
BFGS:   24 17:16:20     -231.947555        3.1790
BFGS:   25 17:16:20     -232.395221        2.7794
BFGS:   26 17:16:20     -232.779177        2.3365
BFGS:   27 17:16:21     -233.095055        1.8715
BFGS:   28 17:16:21     -233.339484        1.3837
BFGS:   29 17:16:21     -233.508960        0.8720
BFGS:   30 17:16:21     -233.599837        0.3355
BFGS:   31 17:16:21     -233.615130        0.0067
BFGS:   32 17:16:21     -233.615135        0.0005
BFGS:   33 17:16:21     -233.615136        0.0000
BFGS:   34 17:16:21     -233.615136        0.0000
Minimization converged after 34 steps.
Maximum force component: 4.629076079199924e-30 eV/Angstrom
Maximum stress component: 2.0709798581911772e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 4.94195150e-34]
 [1.54150509e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 4.93403116e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [6.25000000e-01 6.25000000e-01 6.25000000e-01]
 [3.75000000e-01 8.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 3.75000000e-01]
 [1.25000000e-01 3.75000000e-01 8.75000000e-01]
 [8.75000000e-01 3.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 8.75000000e-01]
 [1.25000000e-01 8.75000000e-01 3.75000000e-01]
 [6.25000000e-01 1.25000000e-01 1.25000000e-01]
 [3.75000000e-01 3.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 8.75000000e-01]
 [8.75000000e-01 8.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 3.75000000e-01]
 [1.25000000e-01 6.25000000e-01 1.25000000e-01]
 [6.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 1.25000000e-01 6.25000000e-01]]
cellpar =  Cell([[6.869913448156008, 1.3107315967643121e-33, 1.4766980997845237e-32], [1.3760302560044968e-32, 6.869913448156008, 1.5033505356765535e-17], [-5.591750195732915e-33, 1.5033505356765548e-17, 6.869913448156008]])
forces =  [[-2.82260737e-32  6.35086657e-32  7.05651841e-32]
 [ 7.05651841e-33  1.23534840e-49  5.64521473e-32]
 [ 1.97876961e-64  9.87912578e-32  2.16185970e-49]
 [-1.41130368e-32  4.23391105e-32  1.41130368e-32]
 [-3.17543329e-32 -1.09376035e-31 -1.41130368e-32]
 [-1.55243405e-31 -5.64521473e-32 -3.94723999e-32]
 [-2.82260737e-32 -8.46782210e-32 -4.23391105e-32]
 [-1.05847776e-32 -4.93956289e-32  7.60780891e-32]
 [ 4.51617178e-31  4.51617178e-31 -8.46782210e-31]
 [ 4.51617178e-31  1.12904295e-30 -4.62907608e-30]
 [-2.06050338e-30 -3.10486810e-31 -2.73792914e-30]
 [-2.25808589e-31 -3.61293743e-30 -7.90622976e-48]
 [-7.90330062e-31  3.38712884e-30  6.77425768e-31]
 [ 1.12904295e-30  2.25808589e-31  7.90330062e-31]
 [-5.08069326e-31  7.45344757e-31  1.01613865e-30]
 [-2.25808589e-31  7.90330062e-31  4.51617178e-31]
 [ 1.80646871e-30 -4.51617178e-31  7.90330062e-31]
 [ 1.01613865e-30  9.03234357e-31 -1.12904295e-31]
 [-3.85991557e-30 -1.83469479e-31  1.10081687e-30]
 [-2.93551166e-30  1.12904295e-31 -2.70970307e-30]
 [ 1.12904295e-31  3.38712884e-31  3.38712884e-31]
 [-9.03234357e-31  2.48389448e-30  7.90330062e-31]
 [ 3.61293743e-30 -1.91937301e-30 -4.51617178e-31]
 [ 1.00202561e-30  6.91538805e-31 -8.64423506e-31]]
stress =  [ 2.07097986e-13  2.07097986e-13  2.07097986e-13  5.10967429e-29
 -2.78833080e-62  1.08290395e-62]
energy per atom =  -9.733963980585777
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0