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 15:23:55      -17.795803         0.162514
BFGS:    1 15:23:55      -17.796857         0.140341
BFGS:    2 15:23:55      -17.799998         0.003035
BFGS:    3 15:23:55      -17.800000         0.000059
BFGS:    4 15:23:55      -17.800000         0.000000
BFGS:    5 15:23:55      -17.800000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.996562456593651e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.85957228e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5199999424965798, -5.8473981928418647e-33, -1.8381275697517078e-32], [-3.207888463425664e-33, 3.5199999424965798, 1.0781727666697571e-20], [-9.904641102648524e-33, 1.0781727666686759e-20, 3.5199999424965798]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.99656246e-14 -1.99656246e-14 -1.99656246e-14  4.54829569e-30
  5.18124249e-36  7.79658878e-53]
energy per atom =  -4.4499999998672095
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0