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_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_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 09:18:53      -17.023604        1.1610
BFGS:    1 09:18:53      -17.073090        1.0025
BFGS:    2 09:18:53      -17.177485        0.5291
BFGS:    3 09:18:53      -17.214410        0.0626
BFGS:    4 09:18:53      -17.214661        0.0851
BFGS:    5 09:18:53      -17.214919        0.1047
BFGS:    6 09:18:53      -17.216473        0.1911
BFGS:    7 09:18:53      -17.222141        0.4520
BFGS:    8 09:18:53      -17.226772        0.7139
BFGS:    9 09:18:53      -17.232942        0.9448
BFGS:   10 09:18:53      -17.241306        1.1414
BFGS:   11 09:18:53      -17.249308        1.3287
BFGS:   12 09:18:53      -17.258136        1.5044
BFGS:   13 09:18:53      -17.269778        1.6750
BFGS:   14 09:18:53      -17.286366        1.8243
BFGS:   15 09:18:53      -17.307549        1.9292
BFGS:   16 09:18:53      -17.327407        1.9724
BFGS:   17 09:18:53      -17.342140        1.9151
BFGS:   18 09:18:53      -17.353781        1.8289
BFGS:   19 09:18:53      -17.397160        1.4756
BFGS:   20 09:18:53      -17.456929        1.1330
BFGS:   21 09:18:53      -17.525305        0.6849
BFGS:   22 09:18:53      -17.568021        0.2482
BFGS:   23 09:18:53      -17.575414        0.0515
BFGS:   24 09:18:53      -17.575758        0.0049
BFGS:   25 09:18:53      -17.575760        0.0014
BFGS:   26 09:18:53      -17.575761        0.0016
BFGS:   27 09:18:53      -17.575763        0.0018
BFGS:   28 09:18:53      -17.575764        0.0011
BFGS:   29 09:18:53      -17.575764        0.0003
BFGS:   30 09:18:53      -17.575764        0.0000
BFGS:   31 09:18:53      -17.575764        0.0000
BFGS:   32 09:18:53      -17.575764        0.0000
BFGS:   33 09:18:53      -17.575764        0.0000
Minimization converged after 33 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.76776720398289e-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 5.18191967e-33]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.5679687521185195, 9.471249018141939e-35, 4.7445214882839864e-32], [-5.071261570525277e-35, 3.5679687521185173, -9.028901549997346e-17], [-3.7100303536377886e-32, -7.425643372388318e-17, 3.5679687522476207]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.76776720e-11 -4.76776720e-11 -4.07526314e-11 -8.23928597e-27
 -2.42057411e-34 -5.15313557e-50]
energy per atom =  -4.393941109695488
===============================================
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.