element(s):
['Co', 'Fe']
AFLOW prototype label:
A3B5_cI16_229_b_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8538']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.5  0.5 ]
 [0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  229
cell =  [[5.8538, 0, 0], [0, 5.8538, 0], [0, 0, 5.8538]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 01:08:42      -27.440942        1.0004
BFGS:    1 01:08:43      -27.483426        0.9814
BFGS:    2 01:08:43      -27.625491        0.9119
BFGS:    3 01:08:43      -27.756733        0.8370
BFGS:    4 01:08:43      -27.876314        0.7564
BFGS:    5 01:08:44      -27.983329        0.6694
BFGS:    6 01:08:44      -28.076804        0.5757
BFGS:    7 01:08:44      -28.155691        0.4748
BFGS:    8 01:08:44      -28.218867        0.3662
BFGS:    9 01:08:45      -28.265132        0.2492
BFGS:   10 01:08:45      -28.293200        0.1235
BFGS:   11 01:08:45      -28.301732        0.0092
BFGS:   12 01:08:45      -28.301777        0.0003
BFGS:   13 01:08:46      -28.301777        0.0000
BFGS:   14 01:08:46      -28.301777        0.0000
Minimization converged after 14 steps.
Maximum force component: 2.002462203402803e-30 eV/Angstrom
Maximum stress component: 4.7611903634358224e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.51726813e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.51726813e-16]
 [5.00000000e-01 7.58634067e-17 7.58634067e-17]
 [0.00000000e+00 5.00000000e-01 7.58634067e-17]
 [0.00000000e+00 7.58634067e-17 5.00000000e-01]
 [0.00000000e+00 7.58634067e-17 7.58634067e-17]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.667175622127417, 9.070448117378674e-33, 2.2349717450275482e-33], [9.725621114893323e-34, 5.667175622127417, 9.01591324127575e-18], [1.5956398654357673e-33, 9.015913241276043e-18, 5.667175622127417]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.57752110e-30 -6.98533327e-31  1.14093777e-30]
 [ 2.00246220e-30 -1.22825443e-30  3.78372219e-31]
 [ 1.04197888e-30 -5.58826661e-31  1.30392888e-30]
 [ 1.14093777e-30 -4.71509996e-31  6.05395550e-31]
 [-1.05071055e-30  5.12257773e-31  1.16422221e-31]
 [-7.33459993e-31  1.19769360e-30 -5.12257773e-31]
 [-1.15257999e-30  6.40322216e-32 -1.64155332e-30]
 [-1.09436888e-30  5.12257773e-31  6.98533327e-32]]
stress =  [-4.76119036e-12 -4.76119036e-12 -4.76119036e-12  3.59043212e-28
  8.95496519e-34  1.59828797e-51]
energy per atom =  -1.7688610406955894
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0