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 16:21:11      -18.080244         3.721604
BFGS:    1 16:21:11      -18.622041         3.496139
BFGS:    2 16:21:11      -19.129741         3.266876
BFGS:    3 16:21:11      -19.596106         2.950192
BFGS:    4 16:21:11      -20.013435         2.607319
BFGS:    5 16:21:11      -20.376229         2.223013
BFGS:    6 16:21:11      -20.678264         1.797244
BFGS:    7 16:21:11      -20.913365         1.330747
BFGS:    8 16:21:11      -21.075534         0.825206
BFGS:    9 16:21:11      -21.159114         0.283465
BFGS:   10 16:21:11      -21.169781         0.013064
BFGS:   11 16:21:11      -21.169803         0.000175
BFGS:   12 16:21:11      -21.169803         0.000000
BFGS:   13 16:21:11      -21.169803         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.383841187067392e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['U', 'U', 'U', 'U']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.22157677e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.59608231e-35]]
cellpar =  Cell([[4.480948124111249, 2.3047521927504405e-32, -6.458539166335094e-33], [2.2499473230310988e-32, 4.480948124111249, -3.2091879976181226e-18], [2.9699835990073775e-33, -3.2091879976181357e-18, 4.480948124111248]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.38384119e-14 -3.38384119e-14 -3.38384119e-14 -2.65921590e-31
  1.27890825e-35  1.61032546e-52]
energy per atom =  -5.292450714077848
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0