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_MEAM_EtesamiAsadi_2018_Ni__SM_333792531460_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 16:08:38       -8.724716         0.336866
BFGS:    1 16:08:38       -8.728916         0.244430
BFGS:    2 16:08:38       -8.733248         0.025710
BFGS:    3 16:08:38       -8.733290         0.002390
BFGS:    4 16:08:38       -8.733291         0.000025
BFGS:    5 16:08:38       -8.733291         0.000000
BFGS:    6 16:08:38       -8.733291         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0357960239114866e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8072748322566525, -8.779465776492933e-33, -3.969973903892217e-36], [5.457477183786615e-34, 2.8072748322566525, -4.907443947329962e-19], [-1.5300462497911936e-35, -4.907443947329963e-19, 2.8072748322566525]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.03579602e-14 -2.03579602e-14 -2.03579602e-14 -8.43382340e-33
  1.69438735e-33  1.03572480e-51]
energy per atom =  -4.366645335583315
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0