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 18:06:29       -8.757900        0.2244
BFGS:    1 18:06:29       -8.759812        0.1734
BFGS:    2 18:06:30       -8.762714        0.0050
BFGS:    3 18:06:30       -8.762716        0.0001
BFGS:    4 18:06:30       -8.762716        0.0000
BFGS:    5 18:06:30       -8.762716        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0695606104225147e-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, 5.4925587974647e-33, 4.917104667993844e-34], [3.2942538352885155e-33, 2.804525413857224, -1.3624114415139034e-20], [-2.2533546832051608e-33, -1.3624114415137024e-20, 2.804525413857224]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.06956061e-13 -2.06956061e-13 -2.06956061e-13 -4.70348344e-30
  7.25599705e-62  3.75346044e-62]
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