element(s):
['Cr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6528']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6528, 0, 0], [0, 3.6528, 0], [0, 0, 3.6528]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:17:24       -7.080845         0.745749
BFGS:    1 16:17:25       -7.103388         0.664061
BFGS:    2 16:17:25       -7.170270         0.205979
BFGS:    3 16:17:26       -7.175852         0.045603
BFGS:    4 16:17:26       -7.176116         0.002317
BFGS:    5 16:17:26       -7.176116         0.000024
BFGS:    6 16:17:27       -7.176116         0.000000
BFGS:    7 16:17:27       -7.176116         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.232919432173747e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.86654009e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.580419659445446, 3.587235843388189e-33, -1.419092434669147e-33], [2.656533014917863e-33, 3.580419659445446, -4.653910676014956e-18], [3.355013758013741e-33, -4.6539106760149614e-18, 3.580419659445446]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.23291943e-15  7.23291943e-15  7.23291943e-15 -1.31970467e-31
  7.44917778e-35 -4.50534842e-51]
energy per atom =  -1.7940290828498326
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0