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_XuWangQian_2022_NiPd__SM_559286646876_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 16:08:39       -8.757900         0.224350
BFGS:    1 16:08:39       -8.759812         0.173440
BFGS:    2 16:08:39       -8.762714         0.005005
BFGS:    3 16:08:39       -8.762716         0.000114
BFGS:    4 16:08:39       -8.762716         0.000000
BFGS:    5 16:08:39       -8.762716         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0695606104225142e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.804525413857224, 1.3915962953688293e-32, -7.432113334584442e-35], [1.0802475226726604e-32, 2.804525413857224, -1.4000462895014833e-20], [-1.225331540356234e-32, -1.4000462894999173e-20, 2.804525413857224]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.06956061e-13 -2.06956061e-13 -2.06956061e-13 -2.83984508e-31
  3.48020392e-61 -1.87055625e-61]
energy per atom =  -4.381358083028674
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0