element(s):
['Cr']
AFLOW prototype label:
A_cP8_223_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['4.577']
Parameter values for parameter set 1:
['5.5603']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Cr']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[4.577, 0, 0], [0, 4.577, 0], [0, 0, 4.577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:46:36      -12.492097         0.471166
BFGS:    1 12:46:39      -12.501222         0.432754
BFGS:    2 12:46:41      -12.545788         0.167088
BFGS:    3 12:46:44      -12.554352         0.016463
BFGS:    4 12:46:47      -12.554441         0.000715
BFGS:    5 12:46:51      -12.554441         0.000003
BFGS:    6 12:46:54      -12.554441         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.9021018073554994e-32 eV/Angstrom
Maximum stress component: 5.2371488908687425e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [1.91323964e-42 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.629504955755646, -1.831361641270561e-32, 9.226909937641841e-34], [-8.220895829680999e-33, 4.629504955755646, 5.699828276981719e-19], [-7.996877688503141e-34, 5.699828276981723e-19, 4.629504955755646]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.37762726e-33 -4.75525452e-33 -5.85465064e-52]
 [-7.13288178e-33  4.75525452e-33  9.51050904e-33]
 [ 1.34877050e-65 -7.13288178e-33 -4.75525452e-33]
 [ 1.90210181e-32  9.51050904e-33  4.75525452e-33]
 [-4.75525452e-33  4.75525452e-33 -8.32169541e-33]
 [ 2.37762726e-33  9.51050904e-33  9.51050904e-33]]
stress =  [-5.23714889e-11 -5.23714889e-11 -5.23714889e-11  4.77817687e-29
  1.91703525e-34 -4.54071886e-53]
energy per atom =  -1.5693050875705263
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Cr']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[5.5603, 0, 0], [0, 5.5603, 0], [0, 0, 5.5603]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:47:41       -6.842810         1.402161
BFGS:    1 12:47:44       -6.927547         1.418076
BFGS:    2 12:47:46       -7.143259         1.458147
BFGS:    3 12:47:49       -7.364990         1.498170
BFGS:    4 12:47:51       -7.592665         1.537293
BFGS:    5 12:47:54       -7.826107         1.574982
BFGS:    6 12:47:57       -8.065060         1.610689
BFGS:    7 12:47:59       -8.309185         1.643836
BFGS:    8 12:48:02       -8.558052         1.673808
BFGS:    9 12:48:05       -8.811136         1.699945
BFGS:   10 12:48:08       -9.067809         1.721533
BFGS:   11 12:48:11       -9.327330         1.737792
BFGS:   12 12:48:14       -9.588837         1.747863
BFGS:   13 12:48:17       -9.851330         1.750735
BFGS:   14 12:48:19      -10.113630         1.745063
BFGS:   15 12:48:22      -10.374359         1.729584
BFGS:   16 12:48:24      -10.631946         1.702914
BFGS:   17 12:48:29      -10.884597         1.663504
BFGS:   18 12:48:34      -11.130273         1.609606
BFGS:   19 12:48:40      -11.366656         1.539247
BFGS:   20 12:48:45      -11.591122         1.450567
BFGS:   21 12:48:49      -11.800912         1.343358
BFGS:   22 12:48:53      -11.993057         1.214711
BFGS:   23 12:48:55      -12.164138         1.062187
BFGS:   24 12:48:57      -12.310343         0.882234
BFGS:   25 12:48:59      -12.427186         0.669810
BFGS:   26 12:49:01      -12.509385         0.419349
BFGS:   27 12:49:03      -12.550803         0.125293
BFGS:   28 12:49:05      -12.554395         0.014408
BFGS:   29 12:49:07      -12.554441         0.000426
BFGS:   30 12:49:09      -12.554441         0.000001
BFGS:   31 12:49:11      -12.554441         0.000000
Minimization converged after 31 steps.
Maximum force component: 2.2825221688594017e-31 eV/Angstrom
Maximum stress component: 9.124641351533876e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 4.99214485e-34 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 1.66404828e-34]
 [5.00000000e-01 7.50000000e-01 9.98428970e-34]
 [2.25694915e-36 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.629504955822177, -6.688742479649466e-32, -1.412576851343176e-32], [-3.171924063077821e-32, 4.629504955822177, -9.45181187056316e-18], [4.245031619935401e-33, -9.451811870563163e-18, 4.629504955822177]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.90210181e-31 -9.51050904e-33  1.94170960e-50]
 [ 2.28252217e-31 -9.70854801e-51  4.75525452e-33]
 [-7.90660328e-64  1.14126108e-31 -9.51050904e-33]
 [ 4.75525452e-33 -1.14126108e-31  2.33005152e-49]
 [-9.51050904e-33  1.55336768e-49 -7.60840723e-32]
 [ 3.71845871e-65  4.75525452e-33  7.60840723e-32]]
stress =  [-9.12464135e-12 -9.12464135e-12 -9.12464135e-12 -3.06422936e-28
 -4.79258812e-34  3.59096540e-51]
energy per atom =  -1.5693050875705246
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.