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 12:18:28      -60.232212         1.359160
BFGS:    1 12:18:29      -60.310635         1.333453
BFGS:    2 12:18:29      -60.505631         1.266254
BFGS:    3 12:18:29      -60.690439         1.197612
BFGS:    4 12:18:29      -60.864843         1.127526
BFGS:    5 12:18:29      -61.028614         1.055634
BFGS:    6 12:18:30      -61.181397         0.981059
BFGS:    7 12:18:30      -61.322804         0.903944
BFGS:    8 12:18:30      -61.452456         0.824324
BFGS:    9 12:18:30      -61.569930         0.741354
BFGS:   10 12:18:30      -61.674669         0.654520
BFGS:   11 12:18:30      -61.766092         0.563800
BFGS:   12 12:18:31      -61.843614         0.469170
BFGS:   13 12:18:31      -61.906646         0.370610
BFGS:   14 12:18:31      -61.954599         0.268095
BFGS:   15 12:18:31      -61.986878         0.161656
BFGS:   16 12:18:31      -62.002909         0.051476
BFGS:   17 12:18:32      -62.004673         0.001283
BFGS:   18 12:18:32      -62.004674         0.000010
BFGS:   19 12:18:32      -62.004674         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.2089088694952947e-31 eV/Angstrom
Maximum stress component: 1.4466141979872355e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.16694879e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.36904853e-49 5.92262131e-50]
 [0.00000000e+00 5.00000000e-01 6.66827879e-35]
 [0.00000000e+00 0.00000000e+00 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, -2.3793957520382438e-32, 5.994154148471826e-33], [-2.3554013724856041e-32, 5.776392998774823, 5.289694479759696e-19], [-1.0119364461109345e-32, 5.289694479759446e-19, 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]
 [-8.89994260e-33  1.20890887e-31 -1.18665901e-32]
 [ 7.71328358e-32 -5.33996556e-32  5.04330081e-32]
 [ 5.93329507e-33  7.86161596e-32  3.55592108e-32]
 [ 3.39310312e-32 -7.11995408e-32  5.08038390e-32]
 [-3.92153721e-32  7.11995408e-32 -7.86161596e-32]
 [ 2.07665327e-32 -5.67371341e-32  2.29915184e-32]
 [-5.93329507e-33 -5.56246412e-32  2.22498565e-32]
 [-3.70830942e-32  2.37331803e-32  5.63663031e-32]]
stress =  [ 1.44661420e-10  1.44661420e-10  1.44661420e-10  2.11306635e-27
 -3.07840494e-35 -4.49833112e-52]
energy per atom =  -3.8752921195747136
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0