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_MEAM_FernandezPascuet_2014_U__SM_176800861722_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 17:20:36      -18.080244        3.7216
BFGS:    1 17:20:36      -18.622041        3.4961
BFGS:    2 17:20:36      -19.129741        3.2669
BFGS:    3 17:20:37      -19.596106        2.9502
BFGS:    4 17:20:37      -20.013435        2.6073
BFGS:    5 17:20:37      -20.376229        2.2230
BFGS:    6 17:20:37      -20.678264        1.7972
BFGS:    7 17:20:37      -20.913365        1.3307
BFGS:    8 17:20:37      -21.075534        0.8252
BFGS:    9 17:20:37      -21.159114        0.2835
BFGS:   10 17:20:37      -21.169781        0.0131
BFGS:   11 17:20:37      -21.169803        0.0002
BFGS:   12 17:20:37      -21.169803        0.0000
BFGS:   13 17:20:37      -21.169803        0.0000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.333759164296797e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['U', 'U', 'U', 'U']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.05394192e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.87686585e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.48094812411125, 1.2807905106181455e-32, 1.266461037424946e-32], [-1.5208032129105493e-32, 4.48094812411125, 1.5921340299127348e-17], [-1.1319673611738615e-32, 1.59213402991274e-17, 4.48094812411125]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.33375916e-14 -3.33375916e-14 -3.33375916e-14  6.66809161e-30
  2.55781651e-35 -2.43980666e-51]
energy per atom =  -5.29245071407785
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0