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 09:06:59      -35.363691        2.3606
BFGS:    1 09:06:59      -35.474381        2.3084
BFGS:    2 09:06:59      -35.629602        2.2187
BFGS:    3 09:06:59      -35.774151        2.1172
BFGS:    4 09:06:59      -35.904651        1.9870
BFGS:    5 09:06:59      -36.022248        1.8582
BFGS:    6 09:06:59      -36.131997        1.7192
BFGS:    7 09:06:59      -36.229752        1.5681
BFGS:    8 09:06:59      -36.315179        1.4024
BFGS:    9 09:06:59      -36.387987        1.2256
BFGS:   10 09:06:59      -36.447944        1.0321
BFGS:   11 09:06:59      -36.495006        0.8323
BFGS:   12 09:06:59      -36.529459        0.6265
BFGS:   13 09:06:59      -36.584194        0.4435
BFGS:   14 09:06:59      -36.597774        0.2390
BFGS:   15 09:06:59      -36.602351        0.2854
BFGS:   16 09:06:59      -36.606185        0.2864
BFGS:   17 09:06:59      -36.618576        0.1985
BFGS:   18 09:06:59      -36.597812        0.1764
BFGS:   19 09:06:59      -36.603555        0.0741
BFGS:   20 09:06:59      -36.604963        0.0367
BFGS:   21 09:06:59      -36.605246        0.0189
BFGS:   22 09:06:59      -36.605284        0.0122
BFGS:   23 09:06:59      -36.605309        0.0052
BFGS:   24 09:06:59      -36.605313        0.0014
BFGS:   25 09:06:59      -36.605313        0.0001
BFGS:   26 09:06:59      -36.605313        0.0000
BFGS:   27 09:06:59      -36.605313        0.0000
BFGS:   28 09:06:59      -36.605313        0.0000
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