element(s):
['Cr', 'Fe']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8057']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.8057, 0, 0], [0, 3.8057, 0], [0, 0, 3.8057]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:10:46      -40.763284         6.069129
BFGS:    1 11:10:46      -41.539755         4.174926
BFGS:    2 11:10:46      -41.980164         1.574095
BFGS:    3 11:10:46      -42.037461         0.347343
BFGS:    4 11:10:47      -42.040034         0.031858
BFGS:    5 11:10:47      -42.040056         0.000430
BFGS:    6 11:10:47      -42.040056         0.000001
BFGS:    7 11:10:47      -42.040056         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.150953203581858e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.24469389e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.50984304e-35]]
cellpar =  Cell([[3.686527508787779, 1.3660121375329972e-32, -3.2853115342256814e-33], [7.267422177291044e-33, 3.686527508787779, -1.2810854996709055e-19], [-1.6923265749410616e-33, -1.281085499670959e-19, 3.686527508787779]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.15095320e-13  7.15095320e-13  7.15095320e-13  7.11098751e-30
  1.20927267e-33 -6.58762156e-50]
energy per atom =  -10.510014081795662
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0