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 09:25:24      -35.644538        12.076968
BFGS:    1 09:25:24      -37.465664        12.183836
BFGS:    2 09:25:24      -39.288673        12.088836
BFGS:    3 09:25:24      -41.081774        11.774299
BFGS:    4 09:25:24      -42.804779        11.161822
BFGS:    5 09:25:24      -44.406491        10.117571
BFGS:    6 09:25:24      -45.813799         8.547201
BFGS:    7 09:25:24      -46.937956         6.357280
BFGS:    8 09:25:24      -47.670363         3.247073
BFGS:    9 09:25:24      -47.857679         0.937470
BFGS:   10 09:25:24      -47.871158         0.123648
BFGS:   11 09:25:24      -47.871407         0.003569
BFGS:   12 09:25:24      -47.871408         0.000014
BFGS:   13 09:25:25      -47.871408         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0627214446675719e-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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.01825797e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.7827937385756125, 2.739559502191081e-32, 1.3827792708969595e-32], [-1.376750306855779e-32, 3.7827937385756125, -5.464739141550608e-18], [9.238601497815221e-33, -5.4647391415506025e-18, 3.7827937385756125]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.06272144e-10 1.06272144e-10 1.06272144e-10 4.09658214e-26
 1.00494415e-33 1.50682298e-49]
energy per atom =  -11.967851885743077
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0