element(s):
['Ni']
AFLOW prototype label:
A_hP2_194_c
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:
['2.582', '1.5943455']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.582, 0, 0], [-1.291, 2.2360775925714, 0], [0, 0, 4.1166]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:08:19       -3.581037         1.247465
BFGS:    1 14:08:20       -3.632843         1.055330
BFGS:    2 14:08:20       -3.714643         0.255186
BFGS:    3 14:08:21       -3.717167         0.218296
BFGS:    4 14:08:21       -3.717786         0.143763
BFGS:    5 14:08:21       -3.718415         0.045020
BFGS:    6 14:08:22       -3.718623         0.018506
BFGS:    7 14:08:22       -3.718640         0.003237
BFGS:    8 14:08:23       -3.718641         0.000486
BFGS:    9 14:08:23       -3.718641         0.000015
BFGS:   10 14:08:24       -3.718641         0.000000
BFGS:   11 14:08:24       -3.718641         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.327292938162279e-31 eV/Angstrom
Maximum stress component: 3.8065019064749516e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.475314870208311, 9.114841540403857e-18, 1.869874217276056e-37], [-1.2376574351041556, 2.143685559965778, 3.067489736964525e-37], [-9.918918739087828e-36, -1.6612695644362885e-35, 4.038104855376248]])
forces =  [[-1.33483925e-32  5.50478428e-33 -1.32729294e-31]
 [ 1.33483925e-32 -5.50478428e-33  1.32729294e-31]]
stress =  [-3.79335938e-10 -3.79335938e-10 -3.80650191e-10 -1.28792906e-44
  4.11046696e-34  3.47228134e-27]
energy per atom =  -1.8593203017361033
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0