element(s):
['Cr', 'Ni']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.5911']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.5911, 0, 0], [0, 6.5911, 0], [0, 0, 6.5911]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:17:01      -32.907239         1.397992
BFGS:    1 17:17:02      -32.989530         1.349109
BFGS:    2 17:17:03      -33.182909         1.230071
BFGS:    3 17:17:04      -33.358786         1.115718
BFGS:    4 17:17:04      -33.517850         1.005876
BFGS:    5 17:17:05      -33.660766         0.900375
BFGS:    6 17:17:06      -33.788172         0.799050
BFGS:    7 17:17:07      -33.900682         0.701740
BFGS:    8 17:17:08      -33.998886         0.608289
BFGS:    9 17:17:08      -34.083354         0.518546
BFGS:   10 17:17:09      -34.154628         0.432364
BFGS:   11 17:17:09      -34.213234         0.349600
BFGS:   12 17:17:10      -34.259672         0.270115
BFGS:   13 17:17:12      -34.294425         0.193775
BFGS:   14 17:17:13      -34.317955         0.120447
BFGS:   15 17:17:15      -34.330704         0.050005
BFGS:   16 17:17:17      -34.333444         0.001683
BFGS:   17 17:17:19      -34.333447         0.000025
BFGS:   18 17:17:21      -34.333447         0.000000
BFGS:   19 17:17:22      -34.333447         0.000000
Minimization converged after 19 steps.
Maximum force component: 3.0727812194078953e-31 eV/Angstrom
Maximum stress component: 6.871778662373409e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.95047393e-33 0.00000000e+00]
 [2.88882831e-33 0.00000000e+00 5.00000000e-01]
 [1.34781595e-33 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.798917161575184, -2.792947258870957e-33, 4.776423034181579e-33], [7.23002021701553e-33, 6.798917161575184, -9.372760162694417e-18], [-1.907488473864486e-32, -9.372760162694397e-18, 6.798917161575184]])
forces =  [[ 9.07867178e-32 -1.81573436e-31  2.79343747e-32]
 [ 2.79343747e-32  5.58687494e-32  5.58687494e-32]
 [ 8.38031242e-32 -1.25704686e-31  2.79343747e-32]
 [ 6.98359368e-33  1.39671874e-31  7.68195305e-32]
 [-9.77703115e-32 -3.07278122e-31 -6.02334955e-32]
 [-4.19015621e-32 -1.08245702e-31  8.38031242e-32]
 [-1.60622655e-31 -9.77703115e-32 -4.19015621e-32]
 [ 1.22212889e-31 -1.50147264e-31 -1.74589842e-33]
 [ 8.38031242e-32  1.18721093e-31 -1.60622655e-31]
 [-1.74589842e-33 -6.98359368e-32  1.60622655e-31]
 [ 5.58687494e-32 -1.39671874e-31  4.19015621e-32]
 [ 8.38031242e-32 -1.11737499e-31  3.14261716e-32]
 [ 8.38031242e-32 -1.39671874e-31  2.79343747e-32]
 [ 6.80900384e-32  2.79343747e-32  9.07867178e-32]
 [-2.09507810e-32 -1.46655467e-31  5.58687494e-32]
 [ 1.81573436e-31 -1.39671874e-31  2.79343747e-32]
 [ 1.09118651e-33  2.18237303e-33  2.40061033e-33]
 [ 1.52766112e-33 -5.67416987e-33 -1.74589842e-33]
 [ 6.54711908e-34  6.65623773e-33  1.96413572e-33]
 [-3.38267819e-33 -5.23769526e-33 -8.72949210e-34]
 [-2.18237303e-33  6.54711908e-33  2.40061033e-33]
 [ 4.36474605e-34 -4.14650875e-33  2.18237303e-34]
 [ 1.30942382e-33  4.58298335e-33  1.30942382e-33]
 [ 2.40061033e-33  3.49179684e-33  1.99141539e-33]]
stress =  [-6.87177866e-15 -6.87177866e-15 -6.87177866e-15  1.29787344e-30
  4.44416024e-35 -9.14450446e-51]
energy per atom =  -1.4305602821264234
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0