element(s):
['U']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7679']
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 =  229
cell =  [[3.7679, 0, 0], [0, 3.7679, 0], [0, 0, 3.7679]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:11:31       -9.370232        2.2105
BFGS:    1 18:11:31       -9.588349        2.5449
BFGS:    2 18:11:31      -10.020853        3.0577
BFGS:    3 18:11:31      -10.458595        2.6152
BFGS:    4 18:11:31      -10.737552        0.8922
BFGS:    5 18:11:31      -10.756316        0.4473
BFGS:    6 18:11:31      -10.761794        0.0235
BFGS:    7 18:11:31      -10.761809        0.0002
BFGS:    8 18:11:31      -10.761809        0.0000
BFGS:    9 18:11:31      -10.761809        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.4989532953479204e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['U', 'U']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.392503784713307, 1.0492789982099143e-33, -6.743995610035479e-34], [-4.199337417774313e-33, 3.392503784713307, 1.7456465472233008e-17], [3.4443297501871154e-33, 1.7456465472233005e-17, 3.392503784713307]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.49895330e-15  3.49895330e-15  3.49895330e-15 -9.46486593e-31
  3.56992032e-34 -7.30188030e-50]
energy per atom =  -5.380904527796548
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0