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_NiRh__SM_306597220004_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 16:21:00       -8.757900         0.224351
BFGS:    1 16:21:00       -8.759812         0.173439
BFGS:    2 16:21:00       -8.762714         0.005013
BFGS:    3 16:21:00       -8.762716         0.000112
BFGS:    4 16:21:00       -8.762716         0.000000
BFGS:    5 16:21:00       -8.762716         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.600733771987959e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8045253638431564, 7.42808903877422e-33, 7.505693007156377e-35], [8.918765781803285e-33, 2.8045253638431564, -1.8731486328296335e-23], [-5.371822585072921e-34, -1.873148632844345e-23, 2.8045253638431564]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.60073377e-15  5.60073377e-15  5.60073377e-15 -1.83220715e-33
  5.22372687e-34 -4.08262408e-51]
energy per atom =  -4.381358084750258
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0