element(s):
['Co', '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:
['3.7068']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7068, 0, 0], [0, 3.7068, 0], [0, 0, 3.7068]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:39:08       -6.876034         1.466710
BFGS:    1 12:39:10       -6.965689         1.383729
BFGS:    2 12:39:11       -7.155175         1.128260
BFGS:    3 12:39:13       -7.299215         0.773574
BFGS:    4 12:39:15       -7.380950         0.292722
BFGS:    5 12:39:17       -7.391361         0.074810
BFGS:    6 12:39:19       -7.392008         0.004875
BFGS:    7 12:39:21       -7.392011         0.000067
BFGS:    8 12:39:23       -7.392011         0.000000
BFGS:    9 12:39:25       -7.392011         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.368156817829439e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Fe']
basis =  [[6.36813619e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.31106449e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.74042995e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.525556440852132, -5.128577219135961e-33, 1.1707636875093115e-32], [5.272438218623677e-35, 3.525556440852132, -2.0006731871132816e-17], [-1.1981898042308993e-32, -2.0006731871132795e-17, 3.525556440852132]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.36815682e-14  6.36815682e-14  6.36815682e-14  2.05859281e-30
 -2.06596937e-35 -4.59694755e-52]
energy per atom =  -1.8480026326025578
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0