element(s):
['Al', 'Cr']
AFLOW prototype label:
AB2_tI6_139_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0105', '2.8863976', '0.68100698']
model name:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cr']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.68100698]]
spacegroup =  139
cell =  [[3.0105, 0, 0], [0, 3.0105, 0], [0, 0, 8.6895]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:45:57      -23.415861        0.6788
BFGS:    1 13:45:57      -23.436762        0.6473
BFGS:    2 13:45:57      -23.508935        0.4894
BFGS:    3 13:45:57      -23.534975        0.3277
BFGS:    4 13:45:57      -23.537556        0.2904
BFGS:    5 13:45:57      -23.544315        0.2033
BFGS:    6 13:45:57      -23.553298        0.1822
BFGS:    7 13:45:58      -23.561765        0.2019
BFGS:    8 13:45:58      -23.566151        0.1850
BFGS:    9 13:45:58      -23.568095        0.1542
BFGS:   10 13:45:58      -23.570092        0.1134
BFGS:   11 13:45:58      -23.572952        0.0995
BFGS:   12 13:45:58      -23.576630        0.0783
BFGS:   13 13:45:58      -23.578829        0.0359
BFGS:   14 13:45:58      -23.579281        0.0058
BFGS:   15 13:45:58      -23.579297        0.0010
BFGS:   16 13:45:58      -23.579297        0.0002
BFGS:   17 13:45:58      -23.579297        0.0000
BFGS:   18 13:45:58      -23.579297        0.0000
BFGS:   19 13:45:58      -23.579297        0.0000
BFGS:   20 13:45:58      -23.579297        0.0000
Minimization converged after 20 steps.
Maximum force component: 1.458554446925192e-10 eV/Angstrom
Maximum stress component: 3.3416759366872705e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.24190283e-34 0.00000000e+00 6.73805985e-01]
 [0.00000000e+00 0.00000000e+00 3.26194015e-01]
 [5.00000000e-01 5.00000000e-01 1.73805985e-01]
 [5.00000000e-01 5.00000000e-01 8.26194015e-01]]
cellpar =  Cell([[3.0357531352732017, 5.6005533235377136e-36, -1.1792588420269678e-32], [5.7869085007930646e-36, 3.0357531352732012, -3.2392808434941887e-19], [1.4164523380744487e-32, -1.558821774112071e-18, 8.223394609149466]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.35463659e-33  2.76482710e-29 -1.45855445e-10]
 [ 9.35463659e-33 -2.76482710e-29  1.45855445e-10]
 [ 9.35463659e-33  2.76482710e-29 -1.45855445e-10]
 [ 9.35463659e-33 -2.76482710e-29  1.45855445e-10]]
stress =  [-3.64237575e-12 -3.64237575e-12  3.34167594e-11 -5.04528209e-27
  4.28635565e-43 -6.14428519e-59]
energy per atom =  -3.929882830157508
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0