element(s):
['Cr', 'Ni']
AFLOW prototype label:
AB2_cF24_227_a_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.8546']
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.    0.    0.   ]
 [0.625 0.625 0.625]]
spacegroup =  227
cell =  [[6.8546, 0, 0], [0, 6.8546, 0], [0, 0, 6.8546]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:02:55      -36.180959         0.838486
BFGS:    1 14:02:56      -36.210904         0.828105
BFGS:    2 14:02:57      -36.331804         0.783565
BFGS:    3 14:02:58      -36.445872         0.736996
BFGS:    4 14:02:59      -36.552796         0.688285
BFGS:    5 14:03:00      -36.652245         0.637319
BFGS:    6 14:03:01      -36.743873         0.583979
BFGS:    7 14:03:02      -36.827314         0.528146
BFGS:    8 14:03:03      -36.902186         0.469694
BFGS:    9 14:03:04      -36.968085         0.408496
BFGS:   10 14:03:05      -37.024591         0.344422
BFGS:   11 14:03:06      -37.071261         0.277337
BFGS:   12 14:03:07      -37.107634         0.207102
BFGS:   13 14:03:07      -37.133227         0.133574
BFGS:   14 14:03:08      -37.147535         0.056606
BFGS:   15 14:03:09      -37.150549         0.002283
BFGS:   16 14:03:10      -37.150554         0.000037
BFGS:   17 14:03:11      -37.150554         0.000000
BFGS:   18 14:03:12      -37.150554         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.9688286933497658e-30 eV/Angstrom
Maximum stress component: 1.9315290241054185e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 5.61609568e-35]
 [2.75688621e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [6.25000000e-01 6.25000000e-01 6.25000000e-01]
 [3.75000000e-01 8.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 3.75000000e-01]
 [1.25000000e-01 3.75000000e-01 8.75000000e-01]
 [8.75000000e-01 3.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 8.75000000e-01]
 [1.25000000e-01 8.75000000e-01 3.75000000e-01]
 [6.25000000e-01 1.25000000e-01 1.25000000e-01]
 [3.75000000e-01 3.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 8.75000000e-01]
 [8.75000000e-01 8.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 3.75000000e-01]
 [1.25000000e-01 6.25000000e-01 1.25000000e-01]
 [6.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 1.25000000e-01 6.25000000e-01]]
cellpar =  Cell([[6.655431666323709, 7.846060201546792e-33, -2.081467602244141e-32], [-4.238066027677873e-33, 6.655431666323709, -1.5427739356902636e-17], [-4.596172824150615e-34, -1.5427739356902633e-17, 6.655431666323709]])
forces =  [[-1.87995795e-32 -1.70905269e-32  3.96169936e-50]
 [ 5.12715806e-33 -1.53814742e-32  1.53814742e-32]
 [ 2.17659154e-66 -3.41810537e-33  7.92339872e-51]
 [ 3.41810537e-33 -1.87995795e-32 -1.19633688e-32]
 [ 8.86571080e-33  7.90436867e-33 -3.41810537e-33]
 [-8.79968225e-66  1.49542110e-32 -1.04679477e-32]
 [-1.87995795e-32  4.35786930e-50 -1.87995795e-32]
 [ 7.26347391e-33  2.39267376e-32  2.09358954e-32]
 [-2.73448430e-31  2.73448430e-32  3.00793273e-31]
 [ 9.02379818e-31  2.73448430e-31  7.38310760e-31]
 [-1.36724215e-31  5.19552016e-31 -4.92207173e-31]
 [ 3.82827801e-31  3.28138116e-31  3.28138116e-31]
 [ 5.46896859e-31  1.96882869e-30 -5.46896859e-31]
 [-6.01586545e-31  2.73448430e-32  2.73448430e-31]
 [ 3.00793273e-31 -8.20345289e-32  1.90161569e-49]
 [-1.64069058e-31 -1.36724215e-32  1.64069058e-31]
 [ 3.00793273e-31  4.37517487e-31 -2.18758744e-31]
 [-5.19552016e-31 -5.46896859e-32  4.92207173e-31]
 [-4.92207173e-31 -5.74241702e-31 -8.20345289e-31]
 [-1.64069058e-31  4.92207173e-31 -4.64862330e-31]
 [-3.28138116e-31  5.46896859e-32  1.09379372e-31]
 [ 5.46896859e-32  7.65655603e-31  3.41810537e-31]
 [ 4.37517487e-31  7.51983181e-31  5.19552016e-31]
 [-5.46896859e-32  1.09379372e-31  2.59776008e-31]]
stress =  [-1.93152902e-14 -1.93152902e-14 -1.93152902e-14  4.15609649e-30
  3.47838793e-35 -4.06268798e-51]
energy per atom =  -1.5479397448278478
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0