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 16:53:17      -32.896958         1.514206
BFGS:    1 16:53:17      -32.929411         1.430638
BFGS:    2 16:53:17      -32.996871         1.231114
BFGS:    3 16:53:17      -33.053667         1.025712
BFGS:    4 16:53:17      -33.099749         0.818139
BFGS:    5 16:53:17      -33.135251         0.611040
BFGS:    6 16:53:17      -33.160450         0.406359
BFGS:    7 16:53:17      -33.175773         0.205726
BFGS:    8 16:53:17      -33.181964         0.158279
BFGS:    9 16:53:17      -33.182885         0.152904
BFGS:   10 16:53:17      -33.186367         0.107792
BFGS:   11 16:53:17      -33.188521         0.067123
BFGS:   12 16:53:17      -33.189484         0.026840
BFGS:   13 16:53:17      -33.189630         0.021781
BFGS:   14 16:53:17      -33.189689         0.014278
BFGS:   15 16:53:17      -33.189730         0.008393
BFGS:   16 16:53:17      -33.189743         0.003430
BFGS:   17 16:53:17      -33.189745         0.000469
BFGS:   18 16:53:17      -33.189745         0.000048
BFGS:   19 16:53:17      -33.189745         0.000002
BFGS:   20 16:53:17      -33.189745         0.000000
BFGS:   21 16:53:17      -33.189745         0.000000
Minimization converged after 21 steps.
Maximum force component: 3.1924811575824074e-09 eV/Angstrom
Maximum stress component: 6.985878979121367e-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([[5.139185310998211, -9.88308386522066e-19, -3.383878092931582e-38], [-2.5695926554991053, 4.45066503408028, -3.674340285314568e-38], [-5.186149850682982e-37, -1.5669140185462004e-36, 4.295716279067023]])
forces =  [[ 2.53381399e-31 -1.46289819e-31 -8.82479852e-33]
 [-4.43417447e-31  1.82862273e-31 -1.76495970e-32]
 [-8.59281482e-25 -3.19248116e-09  3.84925523e-47]
 [ 2.76476978e-09  1.59624058e-09 -1.76495970e-32]
 [-2.76476978e-09  1.59624058e-09 -1.04174889e-48]
 [ 8.59281482e-25  3.19248116e-09 -3.84925523e-47]
 [-2.76476978e-09 -1.59624058e-09  1.76495970e-32]
 [ 2.76476978e-09 -1.59624058e-09  1.04174889e-48]]
stress =  [-6.98587898e-10 -6.98587898e-10 -3.14782098e-10  1.61175850e-34
  9.30549203e-35  1.87347542e-25]
energy per atom =  -4.148718146369021
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0