element(s):
['Al', 'Co']
AFLOW prototype label:
AB3_hP8_194_c_h
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1188', '0.88215988', '0.83576263']
model name:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.83576263 0.67152526 0.25      ]]
spacegroup =  194
cell =  [[5.1188, 0, 0], [-2.5594, 4.4330108368918, 0], [0, 0, 4.5156]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:07:00      -32.896958        1.5142
BFGS:    1 09:07:00      -32.929411        1.4306
BFGS:    2 09:07:00      -32.996871        1.2311
BFGS:    3 09:07:00      -33.053667        1.0257
BFGS:    4 09:07:00      -33.099749        0.8181
BFGS:    5 09:07:00      -33.135251        0.6110
BFGS:    6 09:07:00      -33.160450        0.4064
BFGS:    7 09:07:00      -33.175773        0.2057
BFGS:    8 09:07:00      -33.181964        0.1583
BFGS:    9 09:07:00      -33.182885        0.1529
BFGS:   10 09:07:00      -33.186367        0.1078
BFGS:   11 09:07:00      -33.188521        0.0671
BFGS:   12 09:07:00      -33.189484        0.0268
BFGS:   13 09:07:00      -33.189630        0.0218
BFGS:   14 09:07:00      -33.189689        0.0143
BFGS:   15 09:07:00      -33.189730        0.0084
BFGS:   16 09:07:00      -33.189743        0.0034
BFGS:   17 09:07:00      -33.189745        0.0005
BFGS:   18 09:07:00      -33.189745        0.0000
BFGS:   19 09:07:00      -33.189745        0.0000
BFGS:   20 09:07:00      -33.189745        0.0000
BFGS:   21 09:07:00      -33.189745        0.0000
Minimization converged after 21 steps.
Maximum force component: 3.192485457449507e-09 eV/Angstrom
Maximum stress component: 6.985886670471911e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]
 [0.83623703 0.67247406 0.25      ]
 [0.32752594 0.16376297 0.25      ]
 [0.83623703 0.16376297 0.25      ]
 [0.16376297 0.32752595 0.75      ]
 [0.67247405 0.83623703 0.75      ]
 [0.16376297 0.83623703 0.75      ]]
cellpar =  Cell([[5.13918531099821, -1.5081926171918233e-18, -1.976048888920211e-39], [-2.569592655499105, 4.450665034080278, -1.8472917895531936e-38], [-9.155552677501715e-37, 4.971397915151776e-37, 4.295716279067023]])
forces =  [[ 2.11151165e-31 -2.19434728e-31 -8.82479852e-33]
 [ 6.33453496e-32 -1.09717364e-31  1.76495970e-32]
 [-8.80614710e-26 -3.19248546e-09  1.76495970e-32]
 [ 2.76477351e-09  1.59624273e-09  1.76495970e-32]
 [-2.76477351e-09  1.59624273e-09 -5.91664549e-48]
 [ 8.80614710e-26  3.19248546e-09 -1.76495970e-32]
 [-2.76477351e-09 -1.59624273e-09 -1.76495970e-32]
 [ 2.76477351e-09 -1.59624273e-09  5.91664549e-48]]
stress =  [-6.98588667e-10 -6.98588667e-10 -3.14782271e-10 -1.07450567e-34
 -1.86109841e-34 -9.89236308e-27]
energy per atom =  -4.1487181463690215
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0