element(s):
['U']
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:
['5.0848']
model name:
Sim_LAMMPS_ADP_TseplyaevStarikov_2016_UN__SM_474015477315_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['U']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.0848, 0, 0], [0, 5.0848, 0], [0, 0, 5.0848]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:20:37      -17.465709        0.6477
BFGS:    1 17:20:37      -17.481619        0.4989
BFGS:    2 17:20:37      -17.509234        0.1480
BFGS:    3 17:20:37      -17.512847        0.0361
BFGS:    4 17:20:37      -17.513081        0.0008
BFGS:    5 17:20:37      -17.513081        0.0000
BFGS:    6 17:20:37      -17.513081        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7225196143501673e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['U', 'U', 'U', 'U']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.92152892e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.92152892e-35]]
cellpar =  Cell([[5.011451882325718, -1.0522383697953405e-32, 2.118776631417322e-33], [-1.1361208017656939e-32, 5.011451882325718, -1.6898710415592826e-18], [-2.0100008988154974e-33, -1.6898710415592808e-18, 5.011451882325718]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.72251961e-10  1.72251961e-10  1.72251961e-10  2.54673348e-28
 -6.45982822e-59  5.17792917e-59]
energy per atom =  -4.3782701685385526
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0