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_LeeShimPark_2001_FeCr__MO_150993986463_001
==== 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 15:45:33      -12.346233        3.0657
BFGS:    1 15:45:33      -12.747443        3.0384
BFGS:    2 15:45:33      -13.199353        2.9823
BFGS:    3 15:45:33      -13.640576        2.8952
BFGS:    4 15:45:33      -14.066107        2.7722
BFGS:    5 15:45:33      -14.471898        2.7337
BFGS:    6 15:45:33      -14.864997        2.4297
BFGS:    7 15:45:33      -15.206353        2.1314
BFGS:    8 15:45:33      -15.502112        1.8008
BFGS:    9 15:45:33      -15.742999        1.3982
BFGS:   10 15:45:33      -15.917455        0.9133
BFGS:   11 15:45:33      -16.012306        0.3348
BFGS:   12 15:45:33      -16.025030        0.0477
BFGS:   13 15:45:33      -16.025277        0.0020
BFGS:   14 15:45:33      -16.025278        0.0000
BFGS:   15 15:45:33      -16.025278        0.0000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0228713727103659e-10 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 5.28291258e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.69803880e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.6455835982522062, 2.97746994174897e-32, 1.7607933474078825e-32], [5.295574913578672e-32, 3.645583598252206, -3.2042937989555452e-18], [2.0335555892699917e-32, -3.2042937989555344e-18, 3.6455835982522062]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.02287137e-10 -2.02287137e-10 -2.02287137e-10 -3.56095206e-26
 -4.55591197e-58 -6.88214462e-58]
energy per atom =  -4.006319377639001
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0