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:
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_002
==== 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 10:31:15      -12.265513         2.827609
BFGS:    1 10:31:16      -12.609256         2.842926
BFGS:    2 10:31:17      -13.035706         2.838372
BFGS:    3 10:31:17      -13.459221         2.802857
BFGS:    4 10:31:17      -13.874726         2.730564
BFGS:    5 10:31:17      -14.276914         2.705919
BFGS:    6 10:31:17      -14.676360         2.495207
BFGS:    7 10:31:17      -15.029527         2.228277
BFGS:    8 10:31:17      -15.342724         1.935557
BFGS:    9 10:31:17      -15.606290         1.564697
BFGS:   10 10:31:17      -15.807647         1.104060
BFGS:   11 10:31:17      -15.932365         0.540511
BFGS:   12 10:31:17      -15.964687         0.110412
BFGS:   13 10:31:17      -15.965926         0.008238
BFGS:   14 10:31:17      -15.965933         0.000113
BFGS:   15 10:31:17      -15.965933         0.000000
BFGS:   16 10:31:18      -15.965933         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2038456137495788e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Fe']
basis =  [[7.53276997e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.54434350e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.6333394932592897, -1.364569436628195e-32, -4.4749858279966354e-33], [-1.8095534784548727e-32, 3.6333394932592897, 4.734875668723664e-17], [2.3245430345058012e-33, 4.734875668723665e-17, 3.6333394932592897]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.20384561e-13  1.20384561e-13  1.20384561e-13  3.24913607e-30
 -7.78085379e-35 -2.69241666e-51]
energy per atom =  -3.99148335342021
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0