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 09:18:42       -6.799054        1.1695
BFGS:    1 09:18:43       -6.852839        1.0945
BFGS:    2 09:18:43       -6.987947        0.8202
BFGS:    3 09:18:43       -7.074874        0.4528
BFGS:    4 09:18:43       -7.099428        0.2151
BFGS:    5 09:18:44       -7.100625        0.1209
BFGS:    6 09:18:44       -7.101015        0.1192
BFGS:    7 09:18:44       -7.105612        0.2378
BFGS:    8 09:18:44       -7.125515        0.1885
BFGS:    9 09:18:44       -7.144837        0.2098
BFGS:   10 09:18:45       -7.168585        0.2615
BFGS:   11 09:18:45       -7.194703        0.3040
BFGS:   12 09:18:45       -7.223606        0.3425
BFGS:   13 09:18:45       -7.254170        0.3681
BFGS:   14 09:18:46       -7.285876        0.3832
BFGS:   15 09:18:46       -7.317647        0.3840
BFGS:   16 09:18:46       -7.348570        0.3715
BFGS:   17 09:18:46       -7.377666        0.3483
BFGS:   18 09:18:46       -7.403772        0.3123
BFGS:   19 09:18:47       -7.425958        0.2641
BFGS:   20 09:18:47       -7.443287        0.2026
BFGS:   21 09:18:47       -7.455024        0.1280
BFGS:   22 09:18:47       -7.460601        0.0400
BFGS:   23 09:18:48       -7.461046        0.0040
BFGS:   24 09:18:48       -7.461049        0.0011
BFGS:   25 09:18:48       -7.461049        0.0006
BFGS:   26 09:18:48       -7.461049        0.0000
BFGS:   27 09:18:49       -7.461049        0.0000
BFGS:   28 09:18:49       -7.461049        0.0000
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.