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:
MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_002
==== 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 13:40:32      -35.397027         2.031239
BFGS:    1 13:40:33      -35.470515         1.997745
BFGS:    2 13:40:33      -35.588718         1.934562
BFGS:    3 13:40:33      -35.697761         1.864710
BFGS:    4 13:40:33      -35.798385         1.788214
BFGS:    5 13:40:33      -35.891198         1.705074
BFGS:    6 13:40:33      -35.976695         1.615272
BFGS:    7 13:40:33      -36.055273         1.518783
BFGS:    8 13:40:33      -36.127248         1.415575
BFGS:    9 13:40:33      -36.192862         1.305623
BFGS:   10 13:40:33      -36.252296         1.188910
BFGS:   11 13:40:33      -36.305682         1.065442
BFGS:   12 13:40:33      -36.353110         0.935256
BFGS:   13 13:40:34      -36.394650         0.798444
BFGS:   14 13:40:34      -36.430360         0.655179
BFGS:   15 13:40:34      -36.460320         0.505771
BFGS:   16 13:40:34      -36.484665         0.401667
BFGS:   17 13:40:34      -36.503669         0.413276
BFGS:   18 13:40:34      -36.517929         0.408121
BFGS:   19 13:40:34      -36.528943         0.371339
BFGS:   20 13:40:34      -36.537311         0.304548
BFGS:   21 13:40:34      -36.549103         0.166647
BFGS:   22 13:40:35      -36.554512         0.102578
BFGS:   23 13:40:35      -36.556197         0.084264
BFGS:   24 13:40:35      -36.557035         0.054247
BFGS:   25 13:40:35      -36.557654         0.034066
BFGS:   26 13:40:35      -36.557891         0.015999
BFGS:   27 13:40:35      -36.557929         0.002649
BFGS:   28 13:40:35      -36.557931         0.000346
BFGS:   29 13:40:36      -36.557931         0.000019
BFGS:   30 13:40:36      -36.557931         0.000002
BFGS:   31 13:40:36      -36.557931         0.000000
BFGS:   32 13:40:36      -36.557931         0.000000
Minimization converged after 32 steps.
Maximum force component: 5.736160711083185e-09 eV/Angstrom
Maximum stress component: 7.072395956998667e-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      ]
 [0.83032021 0.66064044 0.25      ]
 [0.33935956 0.16967979 0.25      ]
 [0.83032021 0.16967979 0.25      ]
 [0.16967978 0.33935957 0.75      ]
 [0.66064043 0.83032022 0.75      ]
 [0.16967978 0.83032022 0.75      ]]
cellpar =  Cell([[5.143452862913447, 1.0347172163240883e-17, -1.0249522138329984e-36], [-2.5717264314567236, 4.454360842450845, 2.7788634999557276e-36], [2.1143469081750492e-37, 7.043872552884792e-36, 3.988320648719455]])
forces =  [[ 5.23033098e-31 -3.93480361e-31 -3.04430036e-67]
 [-6.33979513e-31  2.19616945e-31  2.38076640e-67]
 [ 1.00687466e-24 -5.73616071e-09 -1.31092927e-31]
 [ 4.96766090e-09  2.86808036e-09  2.62185853e-31]
 [-4.96766090e-09  2.86808036e-09  2.44920641e-45]
 [-7.11514611e-25  5.73616071e-09  1.31092927e-31]
 [-4.96766090e-09 -2.86808036e-09 -2.62185853e-31]
 [ 4.96766090e-09 -2.86808036e-09 -2.44920641e-45]]
stress =  [-3.18540190e-10 -3.18540190e-10  7.07239596e-10 -1.15636183e-34
  7.21131019e-46  7.32631247e-26]
energy per atom =  -4.56974140502609
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0