element(s):
['Co']
AFLOW prototype label:
A_tI2_139_a
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:
['2.9317', '0.99628202']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[2.9317, 0, 0], [0, 2.9317, 0], [0, 0, 2.9208]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:47:38       -3.333039         1.180173
BFGS:    1 09:47:38       -3.388437         1.026014
BFGS:    2 09:47:38       -3.493071         0.319872
BFGS:    3 09:47:39       -3.498586         0.168006
BFGS:    4 09:47:39       -3.500238         0.023422
BFGS:    5 09:47:39       -3.500253         0.010483
BFGS:    6 09:47:39       -3.500255         0.009023
BFGS:    7 09:47:40       -3.500289         0.024274
BFGS:    8 09:47:40       -3.500512         0.115727
BFGS:    9 09:47:40       -3.500329         0.332204
BFGS:   10 09:47:40       -3.500787         0.181531
BFGS:   11 09:47:40       -3.501027         0.205650
BFGS:   12 09:47:41       -3.506805         0.243324
BFGS:   13 09:47:41       -3.510817         0.252107
BFGS:   14 09:47:41       -3.512746         0.173600
BFGS:   15 09:47:41       -3.514632         0.014310
BFGS:   16 09:47:42       -3.514638         0.004433
BFGS:   17 09:47:42       -3.514640         0.000677
BFGS:   18 09:47:42       -3.514641         0.000079
BFGS:   19 09:47:42       -3.514641         0.000002
BFGS:   20 09:47:43       -3.514641         0.000000
BFGS:   21 09:47:43       -3.514641         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.7825744710229014e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9282043937183504, 7.952446822605748e-34, -6.836639502145765e-33], [5.977371805209319e-34, 2.9282043937183504, 9.1149449389769e-18], [4.805061776892991e-33, 7.211645331200523e-18, 2.5862953480690773]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.78257447e-11 -2.78257447e-11 -1.41658919e-11  5.40287627e-27
  3.11658905e-44 -5.26743752e-61]
energy per atom =  -1.7573202682284665
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0