element(s):
['Cr', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7577']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.7577, 0, 0], [0, 5.7577, 0], [0, 0, 5.7577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:18:34      -27.630240         0.743582
BFGS:    1 13:18:34      -27.653658         0.726111
BFGS:    2 13:18:35      -27.756198         0.639990
BFGS:    3 13:18:35      -27.845318         0.547125
BFGS:    4 13:18:36      -27.919975         0.447050
BFGS:    5 13:18:36      -27.979049         0.339281
BFGS:    6 13:18:37      -28.021349         0.223311
BFGS:    7 13:18:37      -28.045606         0.098610
BFGS:    8 13:18:38      -28.051124         0.006546
BFGS:    9 13:18:38      -28.051148         0.000175
BFGS:   10 13:18:39      -28.051148         0.000000
BFGS:   11 13:18:40      -28.051148         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.275713772800318e-30 eV/Angstrom
Maximum stress component: 1.193002995534369e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.42954671e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.632554944643456, -2.1287702787526865e-32, 5.123065029041236e-33], [-6.046927121647481e-32, 5.632554944643456, -1.2505610660415621e-17], [1.7777383886902527e-33, -1.2505610660415604e-17, 5.632554944643456]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.50424300e-31 -5.78554999e-32  1.57475439e-31]
 [-4.49103318e-31  5.40203131e-31  1.99601475e-31]
 [ 3.34296310e-31  1.73566500e-31 -2.31422000e-31]
 [-4.39701799e-31  1.27571377e-30  2.31422000e-32]
 [ 7.40550399e-31 -3.81846299e-31 -7.63692599e-31]
 [-7.74540505e-31  2.31422000e-31 -2.66135300e-31]
 [-7.28979299e-31 -3.54364937e-31  1.11697274e-30]
 [ 2.30156411e-31 -7.28979299e-31  4.24876327e-32]]
stress =  [-1.19300300e-12 -1.19300300e-12 -1.19300300e-12 -3.43481862e-30
 -6.47527676e-35 -4.17903213e-52]
energy per atom =  -1.753196751325508
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0