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_000
==== 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 16:53:18      -32.907239         1.397992
BFGS:    1 16:53:20      -32.989530         1.349109
BFGS:    2 16:53:22      -33.182909         1.230071
BFGS:    3 16:53:24      -33.358786         1.115718
BFGS:    4 16:53:26      -33.517850         1.005876
BFGS:    5 16:53:28      -33.660766         0.900375
BFGS:    6 16:53:30      -33.788172         0.799050
BFGS:    7 16:53:32      -33.900682         0.701740
BFGS:    8 16:53:34      -33.998886         0.608289
BFGS:    9 16:53:36      -34.083354         0.518546
BFGS:   10 16:53:38      -34.154628         0.432364
BFGS:   11 16:53:39      -34.213234         0.349600
BFGS:   12 16:53:42      -34.259672         0.270115
BFGS:   13 16:53:44      -34.294425         0.193775
BFGS:   14 16:53:46      -34.317955         0.120447
BFGS:   15 16:53:48      -34.330704         0.050005
BFGS:   16 16:53:51      -34.333444         0.001683
BFGS:   17 16:53:53      -34.333447         0.000025
BFGS:   18 16:53:55      -34.333447         0.000000
BFGS:   19 16:53:57      -34.333447         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.396718736094498e-30 eV/Angstrom
Maximum stress component: 7.015064909802609e-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 6.93349695e-33 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [2.88898577e-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, -3.531240205462481e-33, -4.3991028918991255e-33], [-1.0684714708976998e-33, 6.798917161575184, 2.8319827756409634e-18], [1.2528914884327908e-33, 2.831982775640957e-18, 6.798917161575184]])
forces =  [[ 3.07278122e-31 -5.58687494e-31 -4.46949996e-31]
 [ 6.14556244e-31  1.00563749e-30  8.10096867e-31]
 [ 1.95540623e-31 -5.02818745e-31 -3.07278122e-31]
 [-1.11737499e-31  7.82162492e-31 -1.67606248e-31]
 [ 7.68195305e-31  1.35481717e-30  3.84097652e-31]
 [ 4.19015621e-31  5.58687494e-32  7.26293743e-31]
 [-2.79343747e-31 -5.02818745e-31  1.11737499e-31]
 [ 2.82835544e-31 -6.56457806e-31 -1.95540623e-31]
 [-1.39671874e-30 -7.82162492e-31  2.23474998e-31]
 [ 3.63146871e-31  3.07278122e-31  5.58687494e-31]
 [ 1.34084999e-30 -5.02818745e-31 -5.02818745e-31]
 [ 8.38031242e-32 -3.63146871e-31 -5.02818745e-31]
 [ 2.51409372e-31 -3.91081246e-31 -2.23474998e-31]
 [-5.02818745e-31  4.46949996e-31  4.74884370e-31]
 [-2.51409372e-31 -4.46949996e-31 -1.34084999e-30]
 [ 2.79343747e-31 -7.26293743e-31 -3.35212497e-31]
 [ 3.05532224e-33  2.61884763e-33  1.09084009e-51]
 [-3.05532224e-33 -1.26577635e-32  3.49179684e-33]
 [ 4.36474605e-33  7.63830559e-33  3.18161692e-51]
 [-6.11064447e-33 -1.48401366e-32  2.61884763e-33]
 [-2.61884763e-33  1.06936278e-32  1.04753905e-32]
 [-9.87523794e-33 -2.40061033e-33 -1.30942382e-33]
 [-7.85654289e-33 -4.58298335e-33 -4.36474605e-33]
 [-6.54711908e-33  6.54711908e-33  7.85654289e-33]]
stress =  [-7.01506491e-15 -7.01506491e-15 -7.01506491e-15  5.52358168e-31
  1.99987211e-34 -1.99349104e-50]
energy per atom =  -1.4305602821264232
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0