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_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003
==== 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 13:40:11      -40.752114         1.638916
BFGS:    1 13:40:12      -40.844023         1.650731
BFGS:    2 13:40:12      -41.003667         1.670074
BFGS:    3 13:40:12      -41.133596         1.689650
BFGS:    4 13:40:12      -41.246297         1.714600
BFGS:    5 13:40:12      -41.350606         1.742304
BFGS:    6 13:40:12      -41.451496         1.752301
BFGS:    7 13:40:12      -41.551315         1.736127
BFGS:    8 13:40:12      -41.650194         1.701244
BFGS:    9 13:40:12      -41.747908         1.651531
BFGS:   10 13:40:12      -41.844273         1.593221
BFGS:   11 13:40:12      -41.938784         1.521719
BFGS:   12 13:40:12      -42.030407         1.433880
BFGS:   13 13:40:12      -42.117840         1.320900
BFGS:   14 13:40:12      -42.199648         1.184345
BFGS:   15 13:40:12      -42.273807         1.179007
BFGS:   16 13:40:12      -42.336966         1.136316
BFGS:   17 13:40:12      -42.396620         1.019014
BFGS:   18 13:40:12      -42.449914         0.794884
BFGS:   19 13:40:12      -42.498849         0.492504
BFGS:   20 13:40:12      -42.531460         0.373005
BFGS:   21 13:40:12      -42.546672         0.151386
BFGS:   22 13:40:12      -42.547664         0.101169
BFGS:   23 13:40:12      -42.548664         0.126229
BFGS:   24 13:40:12      -42.550206         0.126666
BFGS:   25 13:40:12      -42.551508         0.078410
BFGS:   26 13:40:12      -42.551974         0.021609
BFGS:   27 13:40:12      -42.552033         0.004161
BFGS:   28 13:40:12      -42.552036         0.000280
BFGS:   29 13:40:13      -42.552036         0.000026
BFGS:   30 13:40:13      -42.552036         0.000000
BFGS:   31 13:40:13      -42.552036         0.000000
BFGS:   32 13:40:13      -42.552036         0.000000
Minimization converged after 32 steps.
Maximum force component: 5.679655526417043e-09 eV/Angstrom
Maximum stress component: 1.1285759933380188e-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      ]
 [0.83230308 0.66460616 0.25      ]
 [0.33539384 0.16769692 0.25      ]
 [0.83230308 0.16769692 0.25      ]
 [0.16769692 0.33539385 0.75      ]
 [0.66460615 0.83230308 0.75      ]
 [0.16769692 0.83230308 0.75      ]]
cellpar =  Cell([[4.905776441115138, 1.3788332713726131e-17, -6.057548423616885e-37], [-2.452888220557569, 4.248527023292924, 5.442930485135757e-36], [-9.387753429522948e-37, 9.863903922433755e-37, 3.9970722881681953]])
forces =  [[-1.54283993e-68  1.62109337e-68  6.56902930e-32]
 [-4.03122421e-32 -1.13302882e-49 -6.56902930e-32]
 [-2.86234458e-26  5.67965553e-09  1.31380586e-31]
 [-4.91872597e-09 -2.83982776e-09 -2.62761172e-31]
 [ 4.91872597e-09 -2.83982776e-09 -6.56902930e-32]
 [ 2.86234458e-26 -5.67965553e-09 -1.31380586e-31]
 [ 4.91872597e-09  2.83982776e-09  2.62761172e-31]
 [-4.91872597e-09  2.83982776e-09  6.56902930e-32]]
stress =  [-1.00822082e-10 -1.00822082e-10  1.12857599e-10 -1.20973103e-34
 -4.19063122e-34 -1.90148239e-26]
energy per atom =  -5.319004505384065
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0