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 09:18:48      -37.486865        4.9635
BFGS:    1 09:18:48      -38.049068        3.0909
BFGS:    2 09:18:48      -38.294052        0.7875
BFGS:    3 09:18:48      -38.309139        0.7680
BFGS:    4 09:18:48      -38.321504        1.0035
BFGS:    5 09:18:48      -38.340419        2.6410
BFGS:    6 09:18:48      -38.446280        1.8294
BFGS:    7 09:18:48      -38.530779        1.3093
BFGS:    8 09:18:48      -38.611914        1.2750
BFGS:    9 09:18:48      -38.694042        1.8051
BFGS:   10 09:18:48      -38.776910        2.2880
BFGS:   11 09:18:48      -38.859965        2.7296
BFGS:   12 09:18:48      -38.943141        3.1275
BFGS:   13 09:18:48      -39.025204        3.4891
BFGS:   14 09:18:48      -39.105081        3.8082
BFGS:   15 09:18:48      -39.182590        4.0797
BFGS:   16 09:18:48      -39.256042        4.3071
BFGS:   17 09:18:48      -39.324604        4.4822
BFGS:   18 09:18:48      -39.387479        4.5992
BFGS:   19 09:18:48      -39.444166        4.6438
BFGS:   20 09:18:48      -39.494251        4.6183
BFGS:   21 09:18:48      -39.538814        4.5244
BFGS:   22 09:18:48      -39.579413        4.2766
BFGS:   23 09:18:48      -39.626152        3.7699
BFGS:   24 09:18:48      -39.697257        3.1074
BFGS:   25 09:18:48      -39.853251        2.3099
BFGS:   26 09:18:48      -39.952843        1.3723
BFGS:   27 09:18:48      -40.000072        0.6204
BFGS:   28 09:18:48      -40.014606        0.0952
BFGS:   29 09:18:48      -40.014782        0.0172
BFGS:   30 09:18:48      -40.014788        0.0001
BFGS:   31 09:18:48      -40.014788        0.0000
BFGS:   32 09:18:48      -40.014788        0.0000
BFGS:   33 09:18:48      -40.014788        0.0000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.7605520794748624e-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([[3.5926524286778716, -1.2963727647027183e-34, -2.9602037274965033e-32], [-1.0652635932745086e-36, 3.5926524286778716, 3.166081671318383e-17], [2.189867212122455e-32, 3.05087606749245e-17, 3.592652428697943]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.76055208e-11 -3.76055208e-11 -1.39514541e-11  5.07362645e-27
 -1.90994143e-33  6.51946420e-49]
energy per atom =  -10.003696992336485
===============================================
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.