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_PunYamakovMishin_2013_AlCo__MO_678952612413_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      -33.914089         2.587467
BFGS:    1 16:53:17      -34.068305         2.540081
BFGS:    2 16:53:17      -34.267532         2.469419
BFGS:    3 16:53:17      -34.456865         2.391416
BFGS:    4 16:53:17      -34.636524         2.306429
BFGS:    5 16:53:17      -34.806584         2.214577
BFGS:    6 16:53:17      -34.967010         2.115662
BFGS:    7 16:53:17      -35.117670         2.009239
BFGS:    8 16:53:17      -35.258337         1.894940
BFGS:    9 16:53:17      -35.388831         1.774504
BFGS:   10 16:53:17      -35.509031         1.647653
BFGS:   11 16:53:17      -35.618729         1.513497
BFGS:   12 16:53:17      -35.717623         1.371906
BFGS:   13 16:53:17      -35.805398         1.222403
BFGS:   14 16:53:17      -35.881640         1.063502
BFGS:   15 16:53:17      -35.945866         0.894534
BFGS:   16 16:53:17      -35.997566         0.715250
BFGS:   17 16:53:17      -36.036267         0.526293
BFGS:   18 16:53:17      -36.061567         0.327854
BFGS:   19 16:53:17      -36.073158         0.120241
BFGS:   20 16:53:17      -36.074089         0.065553
BFGS:   21 16:53:17      -36.074260         0.062682
BFGS:   22 16:53:17      -36.075230         0.034415
BFGS:   23 16:53:17      -36.075395         0.028219
BFGS:   24 16:53:17      -36.075467         0.011381
BFGS:   25 16:53:17      -36.075478         0.002763
BFGS:   26 16:53:17      -36.075479         0.000393
BFGS:   27 16:53:17      -36.075479         0.000054
BFGS:   28 16:53:17      -36.075479         0.000004
BFGS:   29 16:53:17      -36.075479         0.000000
BFGS:   30 16:53:17      -36.075479         0.000000
BFGS:   31 16:53:17      -36.075479         0.000000
Minimization converged after 31 steps.
Maximum force component: 1.6366729226617037e-09 eV/Angstrom
Maximum stress component: 7.529863745263261e-11 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      ]
 [0.83091456 0.66182912 0.25      ]
 [0.33817088 0.16908544 0.25      ]
 [0.83091456 0.16908544 0.25      ]
 [0.16908544 0.33817089 0.75      ]
 [0.66182911 0.83091456 0.75      ]
 [0.16908544 0.83091456 0.75      ]]
cellpar =  Cell([[4.852921125279961, -3.281267930959803e-17, 8.481135633931844e-38], [-2.4264605626399804, 4.202752977054616, -5.131152368949122e-38], [-1.2554737831381246e-37, -2.2840735823309878e-36, 3.9695805651907876]])
forces =  [[ 1.99389570e-31 -6.90705733e-32  3.63096629e-69]
 [-1.19633742e-31 -2.07211720e-31 -1.65166927e-69]
 [ 4.13548603e-25 -1.63667292e-09 -5.21907820e-31]
 [ 1.41740033e-09  8.18336461e-10  2.60953910e-31]
 [-1.41740033e-09  8.18336461e-10 -5.21907820e-31]
 [-2.06753450e-25  1.63667292e-09  5.21907820e-31]
 [-1.41740033e-09 -8.18336461e-10 -2.60953910e-31]
 [ 1.41740033e-09 -8.18336461e-10  5.21907820e-31]]
stress =  [-6.51525506e-11 -6.51525506e-11  7.52986375e-11 -3.69412833e-34
 -2.04810097e-47  5.63772998e-27]
energy per atom =  -4.509434897364383
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0