element(s):
['Ni']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5048']
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 =  225
cell =  [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:33:17      -17.795803         0.162514
BFGS:    1 16:33:17      -17.796857         0.140341
BFGS:    2 16:33:17      -17.799998         0.003035
BFGS:    3 16:33:17      -17.800000         0.000059
BFGS:    4 16:33:17      -17.800000         0.000000
BFGS:    5 16:33:17      -17.800000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0831537012580784e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.519999942496579, 2.3262784865303956e-33, -8.605714200765992e-33], [-2.3290147614964592e-33, 3.519999942496579, 1.2321391129532083e-20], [-1.041807802551503e-33, 1.2321391129530907e-20, 3.519999942496579]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.08315370e-14 -2.08315370e-14 -2.08315370e-14 -9.25296925e-30
 -8.03092585e-35 -2.67551546e-50]
energy per atom =  -4.449999999867212
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0