element(s):
['Ni']
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:
['2.7844']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:10:06       -3.541955         0.235240
BFGS:    1 17:10:07       -3.543931         0.157225
BFGS:    2 17:10:07       -3.545596         0.008484
BFGS:    3 17:10:07       -3.545601         0.000331
BFGS:    4 17:10:08       -3.545601         0.000001
BFGS:    5 17:10:08       -3.545601         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.909601729509018e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.799067053673075, 4.999263542671176e-33, -3.3749778842972097e-35], [3.57290986636663e-33, 2.799067053673075, -7.679147515687976e-20], [1.3125384245094489e-33, -7.679147515688133e-20, 2.799067053673075]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.90960173e-12 -5.90960173e-12 -5.90960173e-12  2.73976164e-28
 -6.55514968e-34  1.41666712e-50]
energy per atom =  -1.7728004229119483
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0