element(s):
['N', 'U']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1141']
model name:
Sim_LAMMPS_ADP_TseplyaevStarikov_2016_UN__SM_474015477315_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'U']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.1141, 0, 0], [0, 5.1141, 0], [0, 0, 5.1141]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:49:18      -62.046002         3.478682
BFGS:    1 15:49:18      -62.533922         3.060054
BFGS:    2 15:49:19      -62.961518         2.696095
BFGS:    3 15:49:19      -63.352458         2.505030
BFGS:    4 15:49:19      -63.709764         2.248258
BFGS:    5 15:49:19      -64.024309         1.939308
BFGS:    6 15:49:19      -64.289316         1.585712
BFGS:    7 15:49:19      -64.497764         1.185606
BFGS:    8 15:49:19      -64.643226         0.747359
BFGS:    9 15:49:19      -64.719761         0.267441
BFGS:   10 15:49:19      -64.730286         0.016636
BFGS:   11 15:49:19      -64.730327         0.000063
BFGS:   12 15:49:19      -64.730327         0.000002
BFGS:   13 15:49:19      -64.730327         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7420388265127646e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'U', 'U', 'U', 'U']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.5 0.5 0.5]
 [0.5 0.  0. ]
 [0.  0.5 0. ]
 [0.  0.  0.5]]
cellpar =  Cell([[4.809853696190178, 4.861267689927749e-33, -1.97682376393622e-32], [1.5104361623468604e-32, 4.809853696190178, -1.1179305878453343e-17], [4.505578568703767e-33, -1.1179305878453364e-17, 4.809853696190178]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.74203883e-11 -1.74203883e-11 -1.74203883e-11  2.52495589e-27
  3.32994257e-35 -6.43364537e-51]
energy per atom =  -8.09129082786105
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0