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:
Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_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 10:31:46      -11.687987         3.946842
BFGS:    1 10:31:47      -12.273814         3.842208
BFGS:    2 10:31:47      -12.834208         3.608433
BFGS:    3 10:31:47      -13.349970         3.247497
BFGS:    4 10:31:47      -13.802443         2.769730
BFGS:    5 10:31:48      -14.179844         2.261607
BFGS:    6 10:31:48      -14.480732         1.749621
BFGS:    7 10:31:48      -14.704551         1.234051
BFGS:    8 10:31:49      -14.850781         0.715148
BFGS:    9 10:31:49      -14.918936         0.193058
BFGS:   10 10:31:49      -14.924270         0.000809
BFGS:   11 10:31:49      -14.924270         0.000001
BFGS:   12 10:31:49      -14.924270         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.98634546488769e-13 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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.02640891e-33]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.7527537620701614, -7.097944099744412e-33, 4.112311715541678e-32], [-1.2192692489701474e-33, 3.7527537620701614, 9.726190402776821e-18], [1.4935746816289437e-32, 9.726190402776886e-18, 3.7527537620701614]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.98634546e-13  2.98634546e-13  2.98634546e-13 -8.81008687e-29
 -2.83940128e-61 -2.33401384e-62]
energy per atom =  -3.731067504305325
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0