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_001
==== 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 17:18:44       -3.333039         1.180173
BFGS:    1 17:18:44       -3.388437         1.026014
BFGS:    2 17:18:45       -3.493071         0.319872
BFGS:    3 17:18:45       -3.498586         0.168006
BFGS:    4 17:18:46       -3.500238         0.023422
BFGS:    5 17:18:46       -3.500253         0.010483
BFGS:    6 17:18:47       -3.500255         0.009023
BFGS:    7 17:18:47       -3.500289         0.024274
BFGS:    8 17:18:48       -3.500512         0.115727
BFGS:    9 17:18:48       -3.500329         0.332204
BFGS:   10 17:18:48       -3.500787         0.181531
BFGS:   11 17:18:49       -3.501027         0.205650
BFGS:   12 17:18:49       -3.506805         0.243324
BFGS:   13 17:18:50       -3.510817         0.252107
BFGS:   14 17:18:50       -3.512746         0.173600
BFGS:   15 17:18:50       -3.514632         0.014310
BFGS:   16 17:18:51       -3.514638         0.004433
BFGS:   17 17:18:51       -3.514640         0.000677
BFGS:   18 17:18:52       -3.514641         0.000079
BFGS:   19 17:18:52       -3.514641         0.000002
BFGS:   20 17:18:52       -3.514641         0.000000
BFGS:   21 17:18:53       -3.514641         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.7826910947507787e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.92820439371835, 1.7285048483209235e-34, 2.1423476046662717e-33], [2.7744549152910603e-34, 2.928204393718349, 5.449634246772492e-17], [-4.245140076528343e-33, 5.460222749934517e-17, 2.5862953480690765]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.78269109e-11 -2.78269109e-11 -1.41671682e-11  7.77480792e-27
  5.59478832e-34 -1.75930948e-49]
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