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_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_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 15:33:49      -17.794846         0.183108
BFGS:    1 15:33:49      -17.796181         0.157216
BFGS:    2 15:33:49      -17.799997         0.004115
BFGS:    3 15:33:49      -17.800000         0.000096
BFGS:    4 15:33:49      -17.800000         0.000000
BFGS:    5 15:33:49      -17.800000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.314139158373119e-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([[3.5213917413300546, -5.901841353689888e-33, -2.1923471316657827e-33], [6.516831310356523e-33, 3.5213917413300546, -3.086505065495242e-18], [-2.124720813039397e-32, -3.086505065495223e-18, 3.5213917413300546]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.31413916e-14 -8.31413916e-14 -8.31413916e-14  5.70516725e-29
  2.07085905e-35 -9.49080339e-51]
energy per atom =  -4.450000000475031
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0