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_VailheFarkas_1997_CoAl__MO_284963179498_005
==== 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 12:31:42      -35.363691         2.360583
BFGS:    1 12:31:42      -35.474381         2.308350
BFGS:    2 12:31:42      -35.629602         2.218658
BFGS:    3 12:31:42      -35.774151         2.117198
BFGS:    4 12:31:43      -35.904651         1.986992
BFGS:    5 12:31:43      -36.022248         1.858241
BFGS:    6 12:31:43      -36.131997         1.719240
BFGS:    7 12:31:43      -36.229752         1.568111
BFGS:    8 12:31:43      -36.315179         1.402416
BFGS:    9 12:31:43      -36.387987         1.225593
BFGS:   10 12:31:43      -36.447944         1.032100
BFGS:   11 12:31:44      -36.495006         0.832330
BFGS:   12 12:31:44      -36.529459         0.626529
BFGS:   13 12:31:44      -36.584194         0.443503
BFGS:   14 12:31:44      -36.597774         0.238989
BFGS:   15 12:31:44      -36.602351         0.285418
BFGS:   16 12:31:44      -36.606185         0.286434
BFGS:   17 12:31:44      -36.618576         0.198518
BFGS:   18 12:31:45      -36.597812         0.176383
BFGS:   19 12:31:45      -36.603555         0.074102
BFGS:   20 12:31:45      -36.604963         0.036706
BFGS:   21 12:31:45      -36.605246         0.018921
BFGS:   22 12:31:45      -36.605284         0.012157
BFGS:   23 12:31:45      -36.605309         0.005196
BFGS:   24 12:31:45      -36.605313         0.001367
BFGS:   25 12:31:46      -36.605313         0.000125
BFGS:   26 12:31:46      -36.605313         0.000004
BFGS:   27 12:31:46      -36.605313         0.000000
BFGS:   28 12:31:46      -36.605313         0.000000
Minimization converged after 28 steps.
Maximum force component: 2.9819991571250773e-09 eV/Angstrom
Maximum stress component: 4.904009337166176e-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      ]
 [0.83497815 0.66995631 0.25      ]
 [0.33004369 0.16502185 0.25      ]
 [0.83497815 0.16502185 0.25      ]
 [0.16502184 0.3300437  0.75      ]
 [0.6699563  0.83497816 0.75      ]
 [0.16502184 0.83497816 0.75      ]]
cellpar =  Cell([[5.042328234094637, 1.4786885172682036e-17, 7.53447844203102e-38], [-2.5211641170473187, 4.366784344945483, -1.915277836527041e-36], [1.2258530080418923e-36, 1.1721502669022516e-36, 4.071103974313517]])
forces =  [[-5.28287699e-31  3.76773409e-31 -1.69896835e-67]
 [ 6.21514940e-31 -2.15299091e-31  1.01860057e-67]
 [ 2.34542717e-25  2.98199916e-09 -6.69069743e-32]
 [-2.58248702e-09 -1.49099958e-09  1.33813949e-31]
 [ 2.58248702e-09 -1.49099958e-09  3.34534872e-32]
 [-2.77475635e-26 -2.98199916e-09  6.69069743e-32]
 [ 2.58248702e-09  1.49099958e-09 -1.33813949e-31]
 [-2.58248702e-09  1.49099958e-09 -3.34534872e-32]]
stress =  [-4.90400934e-10 -4.90400934e-10 -7.37404407e-11 -4.62226948e-34
  1.50853789e-46  2.66568338e-25]
energy per atom =  -4.5756641144740255
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0