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_001
==== 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 12:41:56      -16.619690         0.623214
BFGS:    1 12:41:56      -16.635194         0.537347
BFGS:    2 12:41:56      -16.677306         0.011504
BFGS:    3 12:41:56      -16.677323         0.000863
BFGS:    4 12:41:57      -16.677323         0.000001
BFGS:    5 12:41:57      -16.677323         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.7627040374945395e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'U']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.81608556e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.274395046497802, -1.9219812070723728e-33, -1.0861453055383595e-32], [1.1535611743947195e-32, 4.274395046497802, -8.561872968845598e-20], [6.288807998344364e-33, -8.561872968846752e-20, 4.274395046497802]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.76270404e-12  6.76270404e-12  6.76270404e-12  7.37047030e-28
 -5.62198779e-35 -2.96925150e-51]
energy per atom =  -4.169330831073197
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0