element(s):
['Fe', '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:
['6.6153']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.    0.    0.   ]
 [0.625 0.625 0.625]]
spacegroup =  227
cell =  [[6.6153, 0, 0], [0, 6.6153, 0], [0, 0, 6.6153]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:51:18      -37.427392         0.193449
BFGS:    1 12:51:20      -37.428977         0.188754
BFGS:    2 12:51:22      -37.451018         0.105740
BFGS:    3 12:51:24      -37.460877         0.026288
BFGS:    4 12:51:26      -37.461547         0.000760
BFGS:    5 12:51:28      -37.461547         0.000006
BFGS:    6 12:51:30      -37.461547         0.000000
Minimization converged after 6 steps.
Maximum force component: 4.626585342857094e-31 eV/Angstrom
Maximum stress component: 1.0203713000178225e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 3.85185989e-34 0.00000000e+00]
 [2.56790659e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 2.63230075e-33 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([[6.648322290072003, -2.1707946777641334e-32, -1.886054697649404e-32], [8.885778569670716e-33, 6.648322290072003, 2.57921241215361e-20], [1.3769222771575083e-33, 2.5792124121516634e-20, 6.648322290072003]])
forces =  [[-1.70722706e-33  8.53613532e-34 -2.56084060e-33]
 [-1.70722706e-33 -8.53613532e-33  9.38974885e-33]
 [ 7.68252179e-33  6.93560995e-33 -8.53613532e-34]
 [ 8.53613532e-34 -3.41445413e-33 -5.97529472e-33]
 [ 1.19505894e-32  6.82890826e-33  8.10932855e-33]
 [ 2.98764736e-33  5.12168119e-33 -1.70722706e-33]
 [-5.97529472e-33 -1.04567658e-32  5.22838288e-33]
 [ 1.70722706e-33 -4.69487443e-33  1.70722706e-33]
 [-1.16091440e-31  5.93261405e-32  5.80457202e-32]
 [ 7.34107637e-32  4.06320041e-31 -5.46312660e-32]
 [-1.91209431e-31  6.82890826e-32 -1.36578165e-32]
 [-1.45114300e-31 -2.90228601e-31 -7.17035367e-32]
 [-2.45840697e-31 -2.73156330e-31  6.82890826e-32]
 [ 1.79258842e-32  1.22920349e-31  5.97529472e-33]
 [-3.41445413e-32  1.32736904e-31 -3.49981548e-32]
 [-9.56047156e-32  4.09734495e-32  6.82890826e-32]
 [ 9.04830344e-32 -3.07300871e-32 -1.02433624e-31]
 [-2.39011789e-32  1.31456484e-31  1.70722706e-32]
 [ 8.36541261e-32 -1.31456484e-31 -1.36578165e-31]
 [-2.49255151e-31  5.12168119e-32 -4.43879037e-32]
 [-9.56047156e-32  1.53650436e-31  1.43407073e-31]
 [ 2.73156330e-32 -4.37050128e-31  4.23392312e-31]
 [-3.75589954e-31  2.32182881e-31  4.62658534e-31]
 [-1.28895643e-31  5.80457202e-32  2.81692466e-32]]
stress =  [-1.02037130e-10 -1.02037130e-10 -1.02037130e-10  2.86519262e-26
  5.80971854e-35 -9.60800041e-51]
energy per atom =  -1.5608977975811504
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0