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_WangXuQian_2021_AuRh__SM_066295357485_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        0.3644
BFGS:    1 17:14:25      -22.992965        0.2800
BFGS:    2 17:14:26      -22.999987        0.0125
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: 2.8197285024012218e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rh', 'Rh', 'Rh', 'Rh']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.7999996654774413, 1.517090013688031e-32, -1.427717377093564e-34], [2.013774715211328e-32, 3.7999996654774413, 5.0060067157614875e-21], [-2.4901837836944632e-33, 5.006006715761184e-21, 3.7999996654774413]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.81972850e-12 -2.81972850e-12 -2.81972850e-12  6.21939512e-29
 -8.89164489e-36  2.37169754e-52]
energy per atom =  -5.749999996704451
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0