element(s):
['Al', 'U']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3394']
model name:
MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'U']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.3394, 0, 0], [0, 4.3394, 0], [0, 0, 4.3394]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:08:25      -16.619690        0.6232
BFGS:    1 16:08:25      -16.635194        0.5373
BFGS:    2 16:08:25      -16.677306        0.0115
BFGS:    3 16:08:25      -16.677323        0.0009
BFGS:    4 16:08:25      -16.677323        0.0000
BFGS:    5 16:08:25      -16.677323        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.7632385699764576e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'U']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[4.274395046497803, 1.9215504955100925e-33, 6.913690815621511e-33], [-1.730137821170588e-32, 4.274395046497803, -7.387016888316523e-20], [-1.4459856761334714e-32, -7.387016888311524e-20, 4.274395046497803]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.76323857e-12  6.76323857e-12  6.76323857e-12  1.92172801e-28
  2.81099389e-34 -1.15211258e-50]
energy per atom =  -4.169330831073198
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0