element(s):
['Cr', 'Fe']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5412']
model name:
MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.5412, 0, 0], [0, 6.5412, 0], [0, 0, 6.5412]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:13:16      -93.837638         0.903100
BFGS:    1 17:13:16      -93.872115         0.878484
BFGS:    2 17:13:16      -93.996805         0.784385
BFGS:    3 17:13:16      -94.107533         0.692330
BFGS:    4 17:13:17      -94.204604         0.602282
BFGS:    5 17:13:17      -94.288316         0.514206
BFGS:    6 17:13:17      -94.358963         0.428066
BFGS:    7 17:13:17      -94.416831         0.343829
BFGS:    8 17:13:17      -94.462205         0.261459
BFGS:    9 17:13:17      -94.495361         0.180925
BFGS:   10 17:13:17      -94.516572         0.102193
BFGS:   11 17:13:17      -94.526107         0.025232
BFGS:   12 17:13:18      -94.526736         0.000380
BFGS:   13 17:13:18      -94.526736         0.000001
BFGS:   14 17:13:18      -94.526736         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.516232048455448e-31 eV/Angstrom
Maximum stress component: 6.8442261297431086e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.83282297e-33 1.00000000e+00]
 [1.00000000e+00 5.12772593e-33 5.00000000e-01]
 [1.00000000e+00 5.00000000e-01 1.00000000e+00]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.6855275633871285, -2.7421025076504302e-33, -4.2879302485269116e-35], [-3.76988331983844e-33, 6.6855275633871285, 4.4229569277708575e-18], [-8.078910287492488e-35, 4.422956927770856e-18, 6.6855275633871285]])
forces =  [[-2.74684965e-32  1.23608234e-31  1.20174672e-32]
 [ 6.86712412e-32  5.83705550e-32 -1.37342482e-32]
 [ 6.86712412e-32 -3.43356206e-32  7.55383653e-32]
 [ 1.22213350e-31 -2.40349344e-31 -4.80698689e-32]
 [-2.06013724e-32  1.64810979e-31 -2.74684965e-32]
 [ 1.09873986e-31 -8.92726136e-32 -1.64810979e-31]
 [ 6.18041171e-32  3.50223330e-31  4.12027447e-32]
 [-2.06013724e-32  5.83705550e-32  2.74684965e-32]
 [ 9.61397377e-32  2.26615096e-31  2.23181534e-32]
 [ 1.51076731e-31 -1.37342482e-31 -1.64810979e-31]
 [ 4.80698689e-32 -2.95286337e-31  2.06013724e-32]
 [ 9.61397377e-32  1.37342482e-32  8.92726136e-32]
 [-2.48933249e-32  1.03006862e-31 -2.06013724e-32]
 [ 6.86712412e-32 -3.43356206e-32  1.47643169e-31]
 [-4.80698689e-32 -5.51623205e-31 -2.06013724e-32]
 [-2.06013724e-32  1.09873986e-31  1.37342482e-32]
 [ 5.83705550e-32  6.86712412e-33  2.23181534e-32]
 [-2.74684965e-32  6.86712412e-33  6.86712412e-33]
 [ 6.52376792e-32 -2.74684965e-32 -3.43356206e-32]
 [-5.49369930e-32  6.18041171e-32  3.09020585e-32]
 [ 1.37342482e-32 -2.06013724e-32 -1.88845913e-32]
 [-9.01310041e-33  3.43356206e-32  5.83705550e-32]
 [ 3.51940111e-32 -7.38215843e-32 -1.88845913e-32]
 [-3.43356206e-33  1.97429819e-32  3.43356206e-32]]
stress =  [-6.84422613e-12 -6.84422613e-12 -6.84422613e-12 -9.11468551e-29
 -2.29809430e-35 -3.12139817e-52]
energy per atom =  -3.9386140124924984
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0