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:
Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000
==== 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 02:02:52      -16.619690        0.6232
BFGS:    1 02:02:52      -16.635194        0.5373
BFGS:    2 02:02:52      -16.677306        0.0115
BFGS:    3 02:02:52      -16.677323        0.0009
BFGS:    4 02:02:52      -16.677323        0.0000
BFGS:    5 02:02:52      -16.677323        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.7627230123177155e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'U']
basis =  [[1.60075931e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.274395046497816, 2.327368118560919e-32, -7.515422462302064e-34], [1.1592222203086485e-32, 4.274395046497816, -3.980180775367842e-19], [4.898507271934341e-34, -3.980180775367918e-19, 4.274395046497816]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [6.76272301e-12 6.76272301e-12 6.76272301e-12 2.94867497e-29
 6.74638534e-34 2.85725182e-51]
energy per atom =  -4.169330831073194
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0