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_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_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 02:57:32      -12.570159        2.5621
BFGS:    1 02:57:32      -12.855636        2.6341
BFGS:    2 02:57:32      -13.256254        2.7032
BFGS:    3 02:57:32      -13.665740        2.7539
BFGS:    4 02:57:32      -14.081261        2.7810
BFGS:    5 02:57:32      -14.498344        2.7748
BFGS:    6 02:57:32      -14.912407        2.7428
BFGS:    7 02:57:32      -15.319997        2.6874
BFGS:    8 02:57:32      -15.717116        2.5964
BFGS:    9 02:57:32      -16.093190        2.3925
BFGS:   10 02:57:32      -16.426348        2.0208
BFGS:   11 02:57:32      -16.691578        1.4934
BFGS:   12 02:57:32      -16.868483        0.8467
BFGS:   13 02:57:32      -16.948261        0.2384
BFGS:   14 02:57:32      -16.956049        0.0283
BFGS:   15 02:57:32      -16.956164        0.0007
BFGS:   16 02:57:32      -16.956164        0.0000
BFGS:   17 02:57:32      -16.956164        0.0000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.1347648665179146e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Fe']
basis =  [[1.34905762e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.73589011e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.73589011e-33]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.550326016995857, 7.731092554921404e-33, 1.5755174956167374e-35], [1.0887214655016631e-32, 3.550326016995857, 2.9867820361737946e-17], [1.8969852416723417e-33, 2.9867820361737946e-17, 3.550326016995857]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.13476487e-12  3.13476487e-12  3.13476487e-12  1.64498568e-28
 -2.15648457e-36 -9.09610686e-53]
energy per atom =  -4.239041066568215
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0