element(s):
['Al', 'Co']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.9525']
Parameter values for parameter set 1:
['2.8121']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.9525, 0, 0], [0, 2.9525, 0], [0, 0, 2.9525]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:59:34      -25.305658        14.563187
BFGS:    1 16:59:34      -27.393713        13.004974
BFGS:    2 16:59:34      -29.108502         9.373789
BFGS:    3 16:59:35      -30.030400         2.182893
BFGS:    4 16:59:35      -30.060828         0.960567
BFGS:    5 16:59:35      -30.066963         0.069662
BFGS:    6 16:59:35      -30.066997         0.001703
BFGS:    7 16:59:36      -30.066997         0.000003
BFGS:    8 16:59:36      -30.066997         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2875455696210602e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.715028151086175, 3.1606444552401644e-33, -6.983994849633687e-34], [3.249602552443944e-33, 2.715028151086175, -3.2049466745381444e-18], [1.0331379807413935e-33, -3.2049466745381464e-18, 2.715028151086175]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.28754557e-11 1.28754557e-11 1.28754557e-11 5.67356208e-28
 5.57378909e-34 1.21679856e-50]
energy per atom =  -15.033498473830496
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8121, 0, 0], [0, 2.8121, 0], [0, 0, 2.8121]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:59:48      -28.967247         9.393165
BFGS:    1 16:59:49      -29.967998         3.351589
BFGS:    2 16:59:49      -30.044085         1.780725
BFGS:    3 16:59:49      -30.066745         0.181251
BFGS:    4 16:59:49      -30.066997         0.007063
BFGS:    5 16:59:50      -30.066997         0.000036
BFGS:    6 16:59:50      -30.066997         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.702639299686688e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7150281511348187, 6.665042422797816e-33, -1.4439646716992071e-34], [-2.3554717210049824e-35, 2.7150281511348187, -2.4700515024553207e-19], [-1.4682642493034873e-33, -2.470051502455284e-19, 2.7150281511348187]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.70263930e-10  6.70263930e-10  6.70263930e-10 -1.77146234e-26
  4.45903127e-33 -1.26215235e-49]
energy per atom =  -15.033498473830553
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0