element(s):
['Rh']
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:
['3.8208']
model name:
Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Rh']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.8208, 0, 0], [0, 3.8208, 0], [0, 0, 3.8208]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:14:25      -22.987932        0.3643
BFGS:    1 17:14:26      -22.992965        0.2801
BFGS:    2 17:14:26      -22.999986        0.0126
BFGS:    3 17:14:26      -23.000000        0.0004
BFGS:    4 17:14:26      -23.000000        0.0000
BFGS:    5 17:14:26      -23.000000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.083331387256449e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rh', 'Rh', 'Rh', 'Rh']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 1.0136472e-34]]
cellpar =  Cell([[3.800000516247545, -9.626088358898594e-33, 1.9701537792505405e-34], [-8.349687721250914e-33, 3.800000516247545, -3.559647707634629e-18], [1.6394971370450752e-32, -3.5596477076346366e-18, 3.800000516247545]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.08333139e-13 -8.08333139e-13 -8.08333139e-13  3.08388752e-29
  4.84038702e-34  9.45905392e-52]
energy per atom =  -5.750000008095695
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0