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:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_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 11:46:21       -6.799054         1.169481
BFGS:    1 11:46:21       -6.852839         1.094532
BFGS:    2 11:46:21       -6.987947         0.820200
BFGS:    3 11:46:21       -7.074874         0.452821
BFGS:    4 11:46:22       -7.099428         0.215131
BFGS:    5 11:46:22       -7.100625         0.120859
BFGS:    6 11:46:22       -7.101015         0.119188
BFGS:    7 11:46:22       -7.105612         0.237781
BFGS:    8 11:46:23       -7.125515         0.188467
BFGS:    9 11:46:23       -7.144837         0.209840
BFGS:   10 11:46:23       -7.168585         0.261481
BFGS:   11 11:46:23       -7.194703         0.303982
BFGS:   12 11:46:23       -7.223606         0.342545
BFGS:   13 11:46:24       -7.254170         0.368050
BFGS:   14 11:46:24       -7.285876         0.383225
BFGS:   15 11:46:24       -7.317647         0.383973
BFGS:   16 11:46:24       -7.348570         0.371528
BFGS:   17 11:46:25       -7.377666         0.348291
BFGS:   18 11:46:25       -7.403772         0.312330
BFGS:   19 11:46:25       -7.425958         0.264125
BFGS:   20 11:46:25       -7.443287         0.202567
BFGS:   21 11:46:26       -7.455024         0.127982
BFGS:   22 11:46:26       -7.460601         0.040015
BFGS:   23 11:46:26       -7.461046         0.004008
BFGS:   24 11:46:26       -7.461049         0.001122
BFGS:   25 11:46:26       -7.461049         0.000575
BFGS:   26 11:46:27       -7.461049         0.000009
BFGS:   27 11:46:27       -7.461049         0.000001
BFGS:   28 11:46:27       -7.461049         0.000000
Minimization converged after 28 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0650694461228316e-10 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 5.21031273e-33]
 [5.42307109e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.548525475647076, -6.556675831432872e-36, -3.32840205904489e-32], [-8.304980163437415e-35, 3.548525475647077, -7.002667492825169e-17], [1.3772397301082384e-32, -4.959511711444948e-17, 3.5485254755095936]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.06506945e-10  1.06506945e-10  7.23689444e-11 -9.85544495e-27
  1.22358633e-34  9.43556084e-51]
energy per atom =  -1.8652621604514152
===============================================
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.