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:
EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000
==== 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 11:42:16      -86.583760         0.858753
BFGS:    1 11:42:16      -86.615186         0.849017
BFGS:    2 11:42:17      -86.739573         0.809526
BFGS:    3 11:42:17      -86.858059         0.770341
BFGS:    4 11:42:17      -86.970690         0.731462
BFGS:    5 11:42:17      -87.077513         0.692890
BFGS:    6 11:42:17      -87.178573         0.654625
BFGS:    7 11:42:17      -87.273916         0.616668
BFGS:    8 11:42:17      -87.363588         0.579018
BFGS:    9 11:42:17      -87.447637         0.541675
BFGS:   10 11:42:17      -87.526113         0.504779
BFGS:   11 11:42:17      -87.599109         0.468643
BFGS:   12 11:42:17      -87.666747         0.433329
BFGS:   13 11:42:17      -87.729149         0.398836
BFGS:   14 11:42:17      -87.786439         0.365162
BFGS:   15 11:42:17      -87.838739         0.332306
BFGS:   16 11:42:17      -87.886172         0.300267
BFGS:   17 11:42:17      -87.928859         0.269041
BFGS:   18 11:42:17      -87.966924         0.238628
BFGS:   19 11:42:17      -88.000435         0.207629
BFGS:   20 11:42:17      -88.029017         0.172805
BFGS:   21 11:42:17      -88.052078         0.134023
BFGS:   22 11:42:17      -88.069026         0.091280
BFGS:   23 11:42:17      -88.079264         0.044574
BFGS:   24 11:42:17      -88.082233         0.003700
BFGS:   25 11:42:17      -88.082253         0.000128
BFGS:   26 11:42:17      -88.082253         0.000000
BFGS:   27 11:42:17      -88.082253         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.1736909142627418e-30 eV/Angstrom
Maximum stress component: 2.145624271045087e-12 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 =  [[2.82604603e-33 3.01751729e-33 1.03744771e-32]
 [1.53989473e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.38235883e-33]
 [5.00000000e-01 4.85294458e-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([[6.984701028100061, 4.223909774255106e-34, 1.4185502976971594e-35], [6.889550797752915e-33, 6.984701028100061, -1.5221980331472686e-17], [-4.218491446641038e-32, -1.522198033147268e-17, 6.984701028100061]])
forces =  [[-3.58721196e-33 -1.79360598e-33 -1.79360598e-33]
 [ 1.79360598e-33  1.43488479e-32 -3.12708989e-50]
 [ 4.48401495e-33  1.25552419e-32  5.38081795e-33]
 [-3.58721196e-33  8.96802991e-33 -8.96802991e-33]
 [ 5.38081795e-33  7.17442393e-33  8.96802991e-33]
 [ 1.07616359e-32 -1.61424538e-32  3.51797613e-50]
 [-2.69040897e-33 -2.69040897e-32  2.24200748e-33]
 [ 4.88559431e-65 -5.38081795e-33 -8.96802991e-33]
 [-1.18377995e-31  4.93241645e-32  1.07616359e-32]
 [-1.61424538e-32  1.79360598e-31  1.57837326e-31]
 [ 1.57837326e-31 -7.17442393e-32 -1.57837326e-31]
 [-2.94151381e-31  4.37639860e-31 -1.61648739e-31]
 [ 4.30465436e-32 -5.30907371e-31 -3.44372348e-31]
 [ 1.14790783e-31 -1.91131137e-32  3.22849077e-32]
 [-1.00441935e-31 -2.29581566e-31 -2.11645506e-31]
 [-1.14790783e-31  1.43488479e-32 -4.30465436e-32]
 [-4.87860827e-31  2.72628109e-31  6.63634213e-32]
 [-2.51104837e-32  1.07616359e-32  4.48401495e-32]
 [ 2.15232718e-31 -6.17000458e-31 -3.37197925e-31]
 [ 1.54250114e-31  3.22849077e-32 -2.39446399e-31]
 [-1.29139631e-31  1.79360598e-32 -1.79360598e-32]
 [ 1.72186174e-31 -5.73953914e-31 -1.86535022e-31]
 [-9.32675110e-32 -3.08500229e-31  1.17369091e-30]
 [-1.29139631e-31  1.29139631e-31 -3.58721196e-32]]
stress =  [-2.14562427e-12 -2.14562427e-12 -2.14562427e-12  3.09746525e-28
  2.10544340e-35  6.70445207e-51]
energy per atom =  -3.670093859697556
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0