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 12:59:01      -86.583760         0.858753
BFGS:    1 12:59:01      -86.615186         0.849017
BFGS:    2 12:59:01      -86.739573         0.809526
BFGS:    3 12:59:01      -86.858059         0.770341
BFGS:    4 12:59:01      -86.970690         0.731462
BFGS:    5 12:59:01      -87.077513         0.692890
BFGS:    6 12:59:01      -87.178573         0.654625
BFGS:    7 12:59:01      -87.273916         0.616668
BFGS:    8 12:59:01      -87.363588         0.579018
BFGS:    9 12:59:01      -87.447637         0.541675
BFGS:   10 12:59:01      -87.526113         0.504779
BFGS:   11 12:59:01      -87.599109         0.468643
BFGS:   12 12:59:02      -87.666747         0.433329
BFGS:   13 12:59:02      -87.729149         0.398836
BFGS:   14 12:59:02      -87.786439         0.365162
BFGS:   15 12:59:02      -87.838739         0.332306
BFGS:   16 12:59:02      -87.886172         0.300267
BFGS:   17 12:59:02      -87.928859         0.269041
BFGS:   18 12:59:02      -87.966924         0.238628
BFGS:   19 12:59:02      -88.000435         0.207629
BFGS:   20 12:59:03      -88.029017         0.172805
BFGS:   21 12:59:03      -88.052078         0.134023
BFGS:   22 12:59:03      -88.069026         0.091280
BFGS:   23 12:59:03      -88.079264         0.044574
BFGS:   24 12:59:03      -88.082233         0.003700
BFGS:   25 12:59:03      -88.082253         0.000128
BFGS:   26 12:59:03      -88.082253         0.000000
BFGS:   27 12:59:03      -88.082253         0.000000
Minimization converged after 27 steps.
Maximum force component: 5.165585227242324e-31 eV/Angstrom
Maximum stress component: 2.1455270162325353e-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 =  [[0.00000000e+00 7.51216603e-33 5.17147920e-33]
 [4.04442741e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.80514973e-33]
 [5.00000000e-01 5.18382717e-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, 1.1049068029116108e-32, -5.029702325363726e-32], [-1.0679852507392827e-32, 6.984701028100061, 3.320785607505539e-18], [-2.2196844546160042e-32, 3.3207856075055426e-18, 6.984701028100061]])
forces =  [[-5.38081795e-33 -1.34520449e-33 -2.01780673e-33]
 [ 8.96802991e-34  6.72602243e-34  8.07122692e-33]
 [ 5.38081795e-33 -3.13881047e-33  5.38081795e-33]
 [-7.39862467e-33 -1.34520449e-33  8.96802991e-34]
 [ 4.48401495e-33  1.79360598e-33 -4.48401495e-33]
 [-2.24200748e-33 -2.69040897e-33 -8.96802991e-34]
 [ 5.82921944e-33  7.17442393e-33 -5.38081795e-33]
 [ 1.79360598e-33  4.48401495e-34  8.96802991e-34]
 [-9.08551261e-64  5.73953914e-32  2.58279261e-31]
 [ 2.86976957e-32 -2.29581566e-31  1.43488479e-31]
 [-5.73953914e-32 -5.73953914e-32  1.72186174e-31]
 [ 2.86976957e-32  2.86976957e-31  1.72186174e-31]
 [-5.73953914e-32  2.00883870e-31  5.73953914e-32]
 [ 2.86976957e-32  2.86976957e-32  2.86976957e-32]
 [-2.86976957e-32 -2.29581566e-31  2.86976957e-32]
 [ 5.73953914e-32  1.50083424e-49  3.15674653e-31]
 [-5.73953914e-32  1.36439476e-50  2.86976957e-32]
 [-2.86976957e-32 -2.86976957e-32 -5.73953914e-32]
 [-8.60930871e-32  1.72186174e-31  8.60930871e-32]
 [ 4.30465436e-32 -8.60930871e-32  1.14790783e-31]
 [-1.43488479e-32 -1.43488479e-32  2.86976957e-31]
 [-1.14790783e-31 -5.73953914e-32 -2.29581566e-31]
 [ 1.14790783e-31  5.16558523e-31 -1.72186174e-31]
 [ 5.73953914e-32  1.14790783e-31  2.29581566e-31]]
stress =  [-2.14552702e-12 -2.14552702e-12 -2.14552702e-12  9.56770967e-28
 -2.63180425e-36  2.93281769e-52]
energy per atom =  -3.6700938596975594
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0