element(s):
['Cr', 'Fe']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0773']
model name:
Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.0773, 0, 0], [0, 6.0773, 0], [0, 0, 6.0773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:59:01      -60.232212         1.359160
BFGS:    1 16:59:01      -60.310635         1.333453
BFGS:    2 16:59:02      -60.505631         1.266254
BFGS:    3 16:59:03      -60.690439         1.197612
BFGS:    4 16:59:04      -60.864843         1.127526
BFGS:    5 16:59:05      -61.028614         1.055634
BFGS:    6 16:59:06      -61.181397         0.981059
BFGS:    7 16:59:06      -61.322804         0.903944
BFGS:    8 16:59:07      -61.452456         0.824324
BFGS:    9 16:59:08      -61.569930         0.741354
BFGS:   10 16:59:09      -61.674669         0.654520
BFGS:   11 16:59:09      -61.766092         0.563800
BFGS:   12 16:59:10      -61.843614         0.469170
BFGS:   13 16:59:11      -61.906646         0.370610
BFGS:   14 16:59:12      -61.954599         0.268095
BFGS:   15 16:59:13      -61.986878         0.161656
BFGS:   16 16:59:14      -62.002909         0.051476
BFGS:   17 16:59:14      -62.004673         0.001283
BFGS:   18 16:59:15      -62.004674         0.000010
BFGS:   19 16:59:16      -62.004674         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.1213927672864327e-30 eV/Angstrom
Maximum stress component: 1.4466140196975398e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.33365576e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.66731151e-34]
 [0.00000000e+00 1.60038691e-33 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.776392998774823, 6.139926285026621e-32, -1.3350250954005157e-31], [2.736019270251046e-32, 5.776392998774823, -2.594850885909836e-17], [-7.683857092775523e-32, -2.5948508859098322e-17, 5.776392998774823]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.15330655e-31  1.12139277e-30 -7.71328358e-32]
 [-3.26331229e-31 -6.11129392e-31 -7.17928703e-31]
 [ 3.47097761e-31  9.67127096e-31  2.49198393e-31]
 [-2.96664753e-31 -9.61193801e-31  6.28929277e-31]
 [ 7.23861998e-31  1.00272687e-30  2.49198393e-31]
 [ 1.48332377e-33 -1.05019323e-30  1.12732606e-31]
 [ 2.37331803e-32 -5.51796441e-31 -2.59581659e-31]
 [ 8.15828071e-31  9.13727440e-31 -2.35848479e-31]]
stress =  [ 1.44661402e-10  1.44661402e-10  1.44661402e-10 -6.89917026e-26
  1.23136198e-34 -5.07807057e-50]
energy per atom =  -3.8752921195747163
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0