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:
Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000
==== 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 17:16:54      -81.972638         1.780418
BFGS:    1 17:16:55      -82.106557         1.729811
BFGS:    2 17:16:56      -82.358645         1.631656
BFGS:    3 17:16:57      -82.596142         1.535261
BFGS:    4 17:16:58      -82.819311         1.440620
BFGS:    5 17:16:59      -83.028415         1.347731
BFGS:    6 17:17:00      -83.223718         1.256590
BFGS:    7 17:17:01      -83.405480         1.167194
BFGS:    8 17:17:02      -83.573963         1.079541
BFGS:    9 17:17:03      -83.729430         0.993656
BFGS:   10 17:17:04      -83.872152         0.909607
BFGS:   11 17:17:05      -84.002404         0.827393
BFGS:   12 17:17:06      -84.120461         0.747013
BFGS:   13 17:17:07      -84.226599         0.668465
BFGS:   14 17:17:09      -84.321095         0.591814
BFGS:   15 17:17:10      -84.404248         0.517250
BFGS:   16 17:17:12      -84.476375         0.444782
BFGS:   17 17:17:13      -84.537788         0.374408
BFGS:   18 17:17:15      -84.588802         0.306128
BFGS:   19 17:17:16      -84.629731         0.239966
BFGS:   20 17:17:17      -84.660915         0.176251
BFGS:   21 17:17:19      -84.682733         0.115079
BFGS:   22 17:17:20      -84.695566         0.056450
BFGS:   23 17:17:21      -84.699788         0.002402
BFGS:   24 17:17:23      -84.699796         0.000055
BFGS:   25 17:17:23      -84.699796         0.000000
BFGS:   26 17:17:24      -84.699796         0.000000
Minimization converged after 26 steps.
Maximum force component: 4.501784326693539e-31 eV/Angstrom
Maximum stress component: 1.000481293449886e-13 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 5.73062672e-33 1.00000000e+00]
 [1.00000000e+00 0.00000000e+00 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([[6.84802752459732, 1.608977150261015e-32, -1.926687513676552e-33], [-4.03560682440049e-33, 6.84802752459732, 3.5452802897722076e-17], [1.1658206927204675e-33, 3.545280289772209e-17, 6.84802752459732]])
forces =  [[ 3.51701901e-32  1.54748836e-31 -2.18055178e-31]
 [ 2.49864487e-64 -3.83355072e-31  1.40680760e-31]
 [-3.09497672e-31 -4.50178433e-31 -4.22042281e-31]
 [-1.75850950e-32  2.03987102e-31  1.12544608e-31]
 [ 9.14424941e-32  3.37633825e-31 -2.53225368e-31]
 [ 1.47714798e-31 -8.44084561e-32  2.25089216e-31]
 [-1.82884988e-31 -7.03403801e-32 -5.62723041e-32]
 [-2.81361520e-32  1.23095665e-31 -2.39157292e-31]
 [ 1.68816912e-31 -2.25089216e-31 -5.62723041e-32]
 [-5.97893231e-32 -9.14424941e-32  2.11021140e-31]
 [-1.68816912e-31  3.37633825e-31  8.44084561e-32]
 [-4.22042281e-31 -2.60259406e-31 -3.36754570e-31]
 [ 6.33063421e-32  1.40680760e-31 -2.25089216e-31]
 [ 1.12544608e-31 -3.09497672e-31 -2.11021140e-32]
 [-9.14424941e-32  1.30129703e-31  1.40680760e-31]
 [-5.62723041e-32  2.11021140e-31 -1.68816912e-31]
 [ 1.75850950e-33 -4.92382661e-32  1.19578646e-31]
 [-1.05510570e-32  1.07269080e-31  7.03403801e-33]
 [ 6.52846653e-32  1.55188464e-31  1.75850950e-32]
 [ 1.31888213e-32 -2.98946615e-32  1.75850950e-33]
 [ 2.81361520e-32  1.54748836e-31  1.40680760e-32]
 [ 9.84765321e-32  7.03403801e-33 -1.40680760e-32]
 [ 2.81361520e-32 -5.62723041e-32  1.40680760e-32]
 [ 2.11021140e-32 -9.84765321e-32 -5.09821123e-49]]
stress =  [-1.00048129e-13 -1.00048129e-13 -1.00048129e-13  2.61971872e-30
 -3.85213511e-63  1.61380842e-62]
energy per atom =  -3.529158154392858
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0