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_000
==== 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 11:00:22       -3.581037         1.247465
BFGS:    1 11:00:24       -3.632843         1.055330
BFGS:    2 11:00:25       -3.714643         0.255186
BFGS:    3 11:00:27       -3.717167         0.218296
BFGS:    4 11:00:28       -3.717786         0.143763
BFGS:    5 11:00:30       -3.718415         0.045020
BFGS:    6 11:00:32       -3.718623         0.018506
BFGS:    7 11:00:33       -3.718640         0.003237
BFGS:    8 11:00:35       -3.718641         0.000486
BFGS:    9 11:00:37       -3.718641         0.000015
BFGS:   10 11:00:38       -3.718641         0.000000
BFGS:   11 11:00:40       -3.718641         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.327292938162279e-31 eV/Angstrom
Maximum stress component: 3.80650410853928e-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([[2.4753148702083108, 9.114950731001955e-18, -1.391955139593485e-37], [-1.2376574351041554, 2.143685559965778, -2.5685987135900544e-36], [6.152997306945718e-36, 1.073364184599154e-35, 4.038104855376248]])
forces =  [[ 5.08510190e-33 -8.80765485e-33 -1.32729294e-31]
 [-4.57659171e-32  8.80765485e-33  1.32729294e-31]]
stress =  [-3.79336326e-10 -3.79336326e-10 -3.80650411e-10  1.42390753e-33
  8.22093393e-34 -4.51879355e-26]
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