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 13:40:24      -35.363691         2.360583
BFGS:    1 13:40:24      -35.474381         2.308350
BFGS:    2 13:40:25      -35.629602         2.218658
BFGS:    3 13:40:25      -35.774151         2.117198
BFGS:    4 13:40:25      -35.904651         1.986992
BFGS:    5 13:40:25      -36.022248         1.858241
BFGS:    6 13:40:25      -36.131997         1.719240
BFGS:    7 13:40:25      -36.229752         1.568111
BFGS:    8 13:40:25      -36.315179         1.402416
BFGS:    9 13:40:25      -36.387987         1.225593
BFGS:   10 13:40:25      -36.447944         1.032100
BFGS:   11 13:40:25      -36.495006         0.832330
BFGS:   12 13:40:25      -36.529459         0.626529
BFGS:   13 13:40:25      -36.584194         0.443503
BFGS:   14 13:40:26      -36.597774         0.238989
BFGS:   15 13:40:26      -36.602351         0.285418
BFGS:   16 13:40:26      -36.606185         0.286434
BFGS:   17 13:40:26      -36.618576         0.198518
BFGS:   18 13:40:26      -36.597812         0.176383
BFGS:   19 13:40:26      -36.603555         0.074102
BFGS:   20 13:40:26      -36.604963         0.036706
BFGS:   21 13:40:26      -36.605246         0.018921
BFGS:   22 13:40:26      -36.605284         0.012157
BFGS:   23 13:40:26      -36.605309         0.005196
BFGS:   24 13:40:26      -36.605313         0.001367
BFGS:   25 13:40:26      -36.605313         0.000125
BFGS:   26 13:40:27      -36.605313         0.000004
BFGS:   27 13:40:27      -36.605313         0.000000
BFGS:   28 13:40:27      -36.605313         0.000000
Minimization converged after 28 steps.
Maximum force component: 2.9820079806492634e-09 eV/Angstrom
Maximum stress component: 4.903998585283674e-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([[5.042328234094638, 1.1060396322917195e-17, -1.2213122676424981e-37], [-2.521164117047319, 4.366784344945485, -1.3211130976070075e-38], [-1.8738525510770632e-37, 3.3805216138376253e-37, 4.071103974313517]])
forces =  [[ 4.14343293e-32 -2.15299091e-31  2.65853717e-69]
 [-4.14343293e-32  2.15299091e-31 -2.65853717e-69]
 [ 1.76753045e-25  2.98200798e-09 -5.07224142e-47]
 [-2.58249467e-09 -1.49100399e-09  8.79123198e-47]
 [ 2.58249467e-09 -1.49100399e-09  6.69069743e-32]
 [-1.76753045e-25 -2.98200798e-09  5.07224142e-47]
 [ 2.58249467e-09  1.49100399e-09 -8.79123198e-47]
 [-2.58249467e-09  1.49100399e-09 -6.69069743e-32]]
stress =  [-4.90399859e-10 -4.90399859e-10 -7.37396907e-11  4.62226948e-34
 -2.60275956e-47  7.46399170e-26]
energy per atom =  -4.575664114474026
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0