element(s):
['Co', 'Mn']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1285']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Mn']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.1285, 0, 0], [0, 3.1285, 0], [0, 0, 3.1285]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:33:01       -2.329207         1.015237
BFGS:    1 12:33:06       -2.371842         0.942104
BFGS:    2 12:33:11       -2.486624         0.545479
BFGS:    3 12:33:15       -2.520241         0.159901
BFGS:    4 12:33:20       -2.522300         0.034775
BFGS:    5 12:33:23       -2.522411         0.001743
BFGS:    6 12:33:27       -2.522412         0.000020
BFGS:    7 12:33:31       -2.522412         0.000000
BFGS:    8 12:33:35       -2.522412         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.56292580847421e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Mn']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9637855702885014, -9.664566853054551e-33, 1.5205634308864205e-32], [7.058121418103912e-34, 2.9637855702885014, 5.897499310832527e-18], [-3.8585660787461254e-33, 5.897499310832535e-18, 2.9637855702885014]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [5.56292581e-15 5.56292581e-15 5.56292581e-15 2.08609160e-30
 5.84676528e-35 1.01455319e-50]
energy per atom =  -1.261205856749733
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0