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 22:21:47      -16.457509         3.287904
BFGS:    1 22:21:47      -16.920614         3.282592
BFGS:    2 22:21:47      -17.411449         3.258384
BFGS:    3 22:21:47      -17.896974         3.211053
BFGS:    4 22:21:48      -18.373368         3.135751
BFGS:    5 22:21:48      -18.836014         3.026700
BFGS:    6 22:21:48      -19.279349         2.877019
BFGS:    7 22:21:49      -19.696681         2.678523
BFGS:    8 22:21:49      -20.079981         2.421484
BFGS:    9 22:21:49      -20.419626         2.094355
BFGS:   10 22:21:49      -20.704103         1.683437
BFGS:   11 22:21:50      -20.919661         1.172497
BFGS:   12 22:21:50      -21.049895         0.542314
BFGS:   13 22:21:50      -21.078839         0.112717
BFGS:   14 22:21:51      -21.079994         0.008189
BFGS:   15 22:21:51      -21.080000         0.000112
BFGS:   16 22:21:51      -21.080000         0.000000
BFGS:   17 22:21:51      -21.080000         0.000000
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