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_NiRh__SM_306597220004_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 17:11:33      -17.753001        0.2153
BFGS:    1 17:11:33      -17.754844        0.1842
BFGS:    2 17:11:34      -17.759995        0.0057
BFGS:    3 17:11:34      -17.760000        0.0002
BFGS:    4 17:11:34      -17.760000        0.0000
BFGS:    5 17:11:34      -17.760000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.227047905599599e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.41573865e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.523999749165376, -3.6216010396302805e-32, 1.9482995906592525e-33], [-6.922622942822897e-33, 3.523999749165376, 1.6654932146087795e-19], [-5.014334857082024e-34, 1.6654932146087834e-19, 3.523999749165376]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.22704791e-13 -3.22704791e-13 -3.22704791e-13 -3.08771117e-30
  6.67920394e-62 -8.34892232e-62]
energy per atom =  -4.440000006932423
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0