element(s):
['Cr', 'Fe']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2505']
model name:
EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.2505, 0, 0], [0, 4.2505, 0], [0, 0, 4.2505]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 03:17:22      -11.566776        3.0918
BFGS:    1 03:17:22      -11.965294        2.9180
BFGS:    2 03:17:22      -12.389178        2.7429
BFGS:    3 03:17:22      -12.789428        2.5961
BFGS:    4 03:17:22      -13.168731        2.4639
BFGS:    5 03:17:22      -13.529393        2.3478
BFGS:    6 03:17:22      -13.874205        2.2555
BFGS:    7 03:17:22      -14.208643        2.2174
BFGS:    8 03:17:22      -14.543393        2.2473
BFGS:    9 03:17:22      -14.875669        2.1426
BFGS:   10 03:17:22      -15.171634        1.7579
BFGS:   11 03:17:22      -15.391601        1.1445
BFGS:   12 03:17:22      -15.507532        0.3875
BFGS:   13 03:17:22      -15.521788        0.0174
BFGS:   14 03:17:22      -15.521816        0.0002
BFGS:   15 03:17:22      -15.521816        0.0000
BFGS:   16 03:17:22      -15.521816        0.0000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.5268787767874805e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Fe']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.57615422e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.5930882686957775, 2.6688717993607853e-32, 6.540246917558155e-33], [9.259286677014648e-33, 3.5930882686957775, 2.8054229260458e-17], [1.886896191687734e-32, 2.8054229260457973e-17, 3.5930882686957775]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.52687878e-14 -1.52687878e-14 -1.52687878e-14  2.06019063e-30
  7.95615877e-34  1.10087501e-50]
energy per atom =  -3.880454051599928
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0