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:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== 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 16:43:38       -6.609444         1.675159
BFGS:    1 16:43:38       -6.727606         1.614451
BFGS:    2 16:43:39       -6.957604         1.440681
BFGS:    3 16:43:39       -7.155888         1.188328
BFGS:    4 16:43:40       -7.309094         0.835648
BFGS:    5 16:43:40       -7.400164         0.354400
BFGS:    6 16:43:41       -7.414968         0.102422
BFGS:    7 16:43:41       -7.416120         0.008504
BFGS:    8 16:43:42       -7.416128         0.000182
BFGS:    9 16:43:42       -7.416128         0.000000
BFGS:   10 16:43:43       -7.416128         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0759285296658805e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.01966606e-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]]
cellpar =  Cell([[3.5648533762819348, -2.304193836275788e-33, -3.883828536967544e-33], [9.643263245258554e-35, 3.5648533762819348, 4.0805566235792567e-17], [-2.87575698453872e-32, 4.080556623579258e-17, 3.5648533762819348]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.07592853e-12  1.07592853e-12  1.07592853e-12 -2.97944821e-28
 -6.46615122e-34  2.49099785e-49]
energy per atom =  -1.854032091024693
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0