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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:45:13      -35.644538       12.0770
BFGS:    1 15:45:13      -37.465664       12.1838
BFGS:    2 15:45:13      -39.288673       12.0888
BFGS:    3 15:45:13      -41.081774       11.7743
BFGS:    4 15:45:13      -42.804779       11.1618
BFGS:    5 15:45:13      -44.406491       10.1176
BFGS:    6 15:45:13      -45.813799        8.5472
BFGS:    7 15:45:13      -46.937956        6.3573
BFGS:    8 15:45:13      -47.670363        3.2471
BFGS:    9 15:45:13      -47.857679        0.9375
BFGS:   10 15:45:13      -47.871158        0.1236
BFGS:   11 15:45:13      -47.871407        0.0036
BFGS:   12 15:45:13      -47.871408        0.0000
BFGS:   13 15:45:13      -47.871408        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0627175750555661e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Fe']
basis =  [[7.23515807e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.7827937385756125, -5.837397841497936e-32, -2.3204383491934436e-32], [2.3752318896053085e-32, 3.7827937385756125, 2.914681212837241e-18], [-1.8024189488261706e-32, 2.9146812128372615e-18, 3.7827937385756125]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.06271758e-10  1.06271758e-10  1.06271758e-10 -2.01237808e-26
  2.29701520e-33  1.66459568e-50]
energy per atom =  -11.967851885743075
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0