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:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== 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 12:43:57      -17.023604         1.161027
BFGS:    1 12:43:57      -17.073090         1.002541
BFGS:    2 12:43:57      -17.177485         0.529067
BFGS:    3 12:43:57      -17.214410         0.062580
BFGS:    4 12:43:57      -17.214661         0.085050
BFGS:    5 12:43:58      -17.214919         0.104709
BFGS:    6 12:43:58      -17.216473         0.191067
BFGS:    7 12:43:58      -17.222141         0.452037
BFGS:    8 12:43:58      -17.226772         0.713914
BFGS:    9 12:43:58      -17.232942         0.944798
BFGS:   10 12:43:58      -17.241306         1.141373
BFGS:   11 12:43:58      -17.249308         1.328739
BFGS:   12 12:43:58      -17.258136         1.504353
BFGS:   13 12:43:58      -17.269778         1.674968
BFGS:   14 12:43:58      -17.286366         1.824280
BFGS:   15 12:43:58      -17.307549         1.929194
BFGS:   16 12:43:58      -17.327407         1.972355
BFGS:   17 12:43:58      -17.342140         1.915126
BFGS:   18 12:43:58      -17.353781         1.828900
BFGS:   19 12:43:59      -17.397160         1.475627
BFGS:   20 12:43:59      -17.456929         1.133040
BFGS:   21 12:43:59      -17.525305         0.684940
BFGS:   22 12:43:59      -17.568021         0.248222
BFGS:   23 12:43:59      -17.575414         0.051456
BFGS:   24 12:43:59      -17.575758         0.004930
BFGS:   25 12:43:59      -17.575760         0.001381
BFGS:   26 12:43:59      -17.575761         0.001640
BFGS:   27 12:43:59      -17.575763         0.001841
BFGS:   28 12:43:59      -17.575764         0.001055
BFGS:   29 12:43:59      -17.575764         0.000273
BFGS:   30 12:43:59      -17.575764         0.000026
BFGS:   31 12:43:59      -17.575764         0.000001
BFGS:   32 12:44:00      -17.575764         0.000000
BFGS:   33 12:44:00      -17.575764         0.000000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.767712513687162e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 1.29547992e-33]
 [4.33728789e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.45461311e-33 5.00000000e-01]]
cellpar =  Cell([[3.5679687521224333, -1.151089300148972e-35, 1.339426111841539e-32], [-1.7874271920817478e-35, 3.5679687521224346, 2.619322495981097e-17], [2.559683718102663e-32, 2.3055864033305282e-17, 3.5679687522515366]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.76771251e-11 -4.76771251e-11 -4.07518285e-11 -1.53509161e-26
  4.96825233e-44  1.15769965e-59]
energy per atom =  -4.393941109695249
===============================================
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.