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_XuWangQian_2022_NiPd__SM_559286646876_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 15:23:54      -17.753001         0.215304
BFGS:    1 15:23:54      -17.754844         0.184226
BFGS:    2 15:23:54      -17.759995         0.005746
BFGS:    3 15:23:54      -17.760000         0.000158
BFGS:    4 15:23:54      -17.760000         0.000000
BFGS:    5 15:23:54      -17.760000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.46613461608274e-13 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([[3.5239994046639445, 9.266533355021539e-36, 1.1652347494682723e-39], [-1.7703440207822094e-38, 3.5239994046639445, -1.086230486478127e-28], [-1.3948693792059617e-37, -1.0862304733460827e-28, 3.5239994046639445]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.46613462e-13 -5.46613462e-13 -5.46613462e-13  2.91963637e-30
 -1.65423634e-34  5.84106314e-52]
energy per atom =  -4.440000002783432
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0