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_001
==== 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 16:41:43       -0.538781         7.953947
BFGS:    1 16:41:44       -1.081681         2.473727
BFGS:    2 16:41:44       -1.193953         1.186764
BFGS:    3 16:41:45       -1.227020         0.413398
BFGS:    4 16:41:45       -1.232049         0.109118
BFGS:    5 16:41:46       -1.232432         0.034710
BFGS:    6 16:41:46       -1.232457         0.018650
BFGS:    7 16:41:47       -1.232462         0.004549
BFGS:    8 16:41:47       -1.232462         0.000575
BFGS:    9 16:41:48       -1.232462         0.000050
BFGS:   10 16:41:48       -1.232462         0.000003
BFGS:   11 16:41:49       -1.232462         0.000000
BFGS:   12 16:41:49       -1.232462         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4301250898230017e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.4587050794369905, -1.9166625769983337e-35, 3.379105107314312e-32], [6.046167715169524e-35, 2.458705079436991, -4.480904383724141e-19], [1.1739094753647106e-33, -4.519418041520541e-19, 2.4587050793356133]])
forces =  [[0. 0. 0.]]
stress =  [-3.66540146e-11 -3.66540146e-11 -1.43012509e-10  5.62323955e-26
 -5.07808949e-44  2.05798454e-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.