element(s):
['Fe']
AFLOW prototype label:
A_tP1_123_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:
['2.2256', '1.0359004']
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 =  123
cell =  [[2.2256, 0, 0], [0, 2.2256, 0], [0, 0, 2.3055]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:30:28       -0.538781        7.9539
BFGS:    1 17:30:28       -1.081681        2.4737
BFGS:    2 17:30:29       -1.193953        1.1868
BFGS:    3 17:30:29       -1.227020        0.4134
BFGS:    4 17:30:29       -1.232049        0.1091
BFGS:    5 17:30:29       -1.232432        0.0347
BFGS:    6 17:30:30       -1.232457        0.0186
BFGS:    7 17:30:30       -1.232462        0.0045
BFGS:    8 17:30:30       -1.232462        0.0006
BFGS:    9 17:30:30       -1.232462        0.0000
BFGS:   10 17:30:30       -1.232462        0.0000
BFGS:   11 17:30:31       -1.232462        0.0000
BFGS:   12 17:30:31       -1.232462        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4301285397931553e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.4587050794369905, -1.0567952400565947e-34, -2.498740874767579e-33], [-9.952367884646574e-36, 2.458705079436991, -1.308987131127945e-18], [-5.065009553122592e-33, -1.3136748430770792e-18, 2.458705079335613]])
forces =  [[0. 0. 0.]]
stress =  [-3.66539952e-11 -3.66539952e-11 -1.43012854e-10 -1.54972208e-26
  2.19102584e-43  2.38877369e-59]
energy per atom =  -1.2324623727201434
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.