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:
MEAM_LAMMPS_MooreBeelerDeo_2015_UZr__MO_453094726678_001
==== 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 17:21:07      -16.457509        3.2879
BFGS:    1 17:21:07      -16.920614        3.2826
BFGS:    2 17:21:07      -17.411449        3.2584
BFGS:    3 17:21:07      -17.896974        3.2111
BFGS:    4 17:21:07      -18.373368        3.1358
BFGS:    5 17:21:07      -18.836014        3.0267
BFGS:    6 17:21:07      -19.279349        2.8770
BFGS:    7 17:21:07      -19.696681        2.6785
BFGS:    8 17:21:07      -20.079981        2.4215
BFGS:    9 17:21:07      -20.419626        2.0944
BFGS:   10 17:21:07      -20.704103        1.6834
BFGS:   11 17:21:07      -20.919661        1.1725
BFGS:   12 17:21:07      -21.049895        0.5423
BFGS:   13 17:21:07      -21.078839        0.1127
BFGS:   14 17:21:07      -21.079994        0.0082
BFGS:   15 17:21:07      -21.080000        0.0001
BFGS:   16 17:21:07      -21.080000        0.0000
BFGS:   17 17:21:07      -21.080000        0.0000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.758891087829153e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['U', 'U', 'U', 'U']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.280000020791373, -1.3338044566793452e-32, -4.662975947312697e-33], [-5.365590419607418e-32, 4.280000020791373, -1.6966458325871055e-17], [-8.169585971059047e-33, -1.6966458325871034e-17, 4.280000020791373]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.75889109e-14  6.75889109e-14  6.75889109e-14 -2.92335141e-30
 -2.80363631e-35  1.31868379e-52]
energy per atom =  -5.270000000204573
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0