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 16:38:02      -22.987932         0.364339
BFGS:    1 16:38:03      -22.992965         0.280053
BFGS:    2 16:38:03      -22.999986         0.012639
BFGS:    3 16:38:03      -23.000000         0.000403
BFGS:    4 16:38:03      -23.000000         0.000000
BFGS:    5 16:38:03      -23.000000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.084744005529567e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Rh', 'Rh', 'Rh', 'Rh']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.60119828e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.02729440e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.01364720e-34]]
cellpar =  Cell([[3.800000516247545, -1.697671679501192e-32, -6.806334688072194e-33], [-1.402726004206452e-32, 3.800000516247545, -3.557457619970938e-18], [1.0451869447668561e-32, -3.557457619970955e-18, 3.800000516247545]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.08474401e-13 -8.08474401e-13 -8.08474401e-13  1.09373600e-29
 -8.00247682e-35  1.77258055e-51]
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