element(s):
['Co', 'Fe']
AFLOW prototype label:
AB3_tP4_123_a_ce
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1168', '0.73625146']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Fe', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[4.1168, 0, 0], [0, 4.1168, 0], [0, 0, 3.031]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:56:48      -37.486865         4.963480
BFGS:    1 16:56:48      -38.049068         3.090875
BFGS:    2 16:56:48      -38.294052         0.787470
BFGS:    3 16:56:48      -38.309139         0.768033
BFGS:    4 16:56:48      -38.321504         1.003461
BFGS:    5 16:56:48      -38.340419         2.640996
BFGS:    6 16:56:48      -38.446280         1.829351
BFGS:    7 16:56:48      -38.530779         1.309278
BFGS:    8 16:56:48      -38.611914         1.275042
BFGS:    9 16:56:48      -38.694042         1.805069
BFGS:   10 16:56:48      -38.776910         2.288042
BFGS:   11 16:56:48      -38.859965         2.729564
BFGS:   12 16:56:49      -38.943141         3.127540
BFGS:   13 16:56:49      -39.025204         3.489077
BFGS:   14 16:56:49      -39.105081         3.808249
BFGS:   15 16:56:49      -39.182590         4.079701
BFGS:   16 16:56:49      -39.256042         4.307092
BFGS:   17 16:56:49      -39.324604         4.482157
BFGS:   18 16:56:49      -39.387479         4.599207
BFGS:   19 16:56:49      -39.444166         4.643777
BFGS:   20 16:56:49      -39.494251         4.618264
BFGS:   21 16:56:49      -39.538814         4.524387
BFGS:   22 16:56:49      -39.579413         4.276589
BFGS:   23 16:56:49      -39.626152         3.769936
BFGS:   24 16:56:49      -39.697257         3.107446
BFGS:   25 16:56:49      -39.853251         2.309934
BFGS:   26 16:56:49      -39.952843         1.372294
BFGS:   27 16:56:49      -40.000072         0.620410
BFGS:   28 16:56:49      -40.014606         0.095153
BFGS:   29 16:56:49      -40.014782         0.017159
BFGS:   30 16:56:49      -40.014788         0.000068
BFGS:   31 16:56:49      -40.014788         0.000004
BFGS:   32 16:56:49      -40.014788         0.000000
BFGS:   33 16:56:49      -40.014788         0.000000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.76074170194568e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Fe', 'Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]]
cellpar =  Cell([[3.592652428677872, 1.3070895197784009e-33, -3.9660912925045275e-32], [3.740787860686768e-34, 3.592652428677872, 6.375279298819811e-17], [1.8988939452213104e-33, 6.230976485013955e-17, 3.592652428697941]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.76074170e-11 -3.76074170e-11 -1.39563096e-11  3.96143340e-27
  1.85025576e-33 -4.41785951e-49]
energy per atom =  -10.003696992336488
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB3_tP4_123_a_ce, while relaxed is AB3_cP4_221_a_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.