element(s):
['Fe']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9647']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.9647, 0, 0], [0, 2.9647, 0], [0, 0, 2.9647]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:55:27       -3.403516        1.1668
BFGS:    1 17:55:27       -3.457828        1.0000
BFGS:    2 17:55:27       -3.557285        0.2539
BFGS:    3 17:55:28       -3.561096        0.1167
BFGS:    4 17:55:28       -3.561960        0.0079
BFGS:    5 17:55:28       -3.561964        0.0002
BFGS:    6 17:55:28       -3.561964        0.0000
BFGS:    7 17:55:28       -3.561964        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.166048185544959e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8480740518730547, -2.3004718372201952e-32, 1.7680574764701783e-32], [5.0470129181952854e-33, 2.8480740518730547, -2.109720806194243e-17], [2.097567794413141e-34, -2.1097208061942447e-17, 2.8480740518730547]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.16604819e-12  2.16604819e-12  2.16604819e-12 -2.47257631e-28
 -1.26630015e-34  1.10697197e-51]
energy per atom =  -1.7809819055729117
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0