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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
==== 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 17:07:57       -8.762665         0.161798
BFGS:    1 17:07:57       -8.763675         0.129531
BFGS:    2 17:07:58       -8.765426         0.005188
BFGS:    3 17:07:58       -8.765428         0.000160
BFGS:    4 17:07:58       -8.765428         0.000000
BFGS:    5 17:07:58       -8.765428         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.46665986789739e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.768746593413521, -6.48067398896079e-33, 4.360091089013591e-33], [-1.1883058152542533e-32, 2.768746593413521, 6.620700277922239e-21], [9.092001329604164e-34, 6.6207002779275065e-21, 2.768746593413521]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.46665987e-13 -5.46665987e-13 -5.46665987e-13  5.30737980e-29
  2.67980252e-34 -1.49235242e-50]
energy per atom =  -4.382714196509761
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0