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_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_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 15:04:05       -4.170606         1.667147
BFGS:    1 15:04:05       -4.290988         1.702483
BFGS:    2 15:04:05       -4.551761         1.773303
BFGS:    3 15:04:05       -4.822805         1.840414
BFGS:    4 15:04:06       -5.103620         1.902190
BFGS:    5 15:04:06       -5.392759         1.949872
BFGS:    6 15:04:06       -5.687391         1.973685
BFGS:    7 15:04:06       -5.983112         1.962383
BFGS:    8 15:04:07       -6.273689         1.902657
BFGS:    9 15:04:07       -6.550689         1.778491
BFGS:   10 15:04:07       -6.803214         1.573288
BFGS:   11 15:04:07       -7.017399         1.262338
BFGS:   12 15:04:08       -7.174980         0.812385
BFGS:   13 15:04:08       -7.251990         0.179532
BFGS:   14 15:04:08       -7.255012         0.040795
BFGS:   15 15:04:08       -7.255166         0.001508
BFGS:   16 15:04:08       -7.255166         0.000012
BFGS:   17 15:04:09       -7.255166         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6367918435679506e-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 2.58569404e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.72379603e-33]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.575234962393119, 8.945411874290052e-33, -1.4125335765850305e-32], [2.4262165883357063e-32, 3.575234962393119, -3.950798142773185e-17], [8.076208131195638e-33, -3.950798142773184e-17, 3.5752349623931186]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.63679184e-10 -2.63679184e-10 -2.63679184e-10 -4.40812841e-26
  6.42865357e-34  3.85358610e-50]
energy per atom =  -1.8137915577191437
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0