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 14:36:41      -62.046002        3.4787
BFGS:    1 14:36:41      -62.533922        3.0601
BFGS:    2 14:36:41      -62.961518        2.6961
BFGS:    3 14:36:41      -63.352458        2.5050
BFGS:    4 14:36:41      -63.709764        2.2483
BFGS:    5 14:36:41      -64.024309        1.9393
BFGS:    6 14:36:41      -64.289316        1.5857
BFGS:    7 14:36:41      -64.497764        1.1856
BFGS:    8 14:36:41      -64.643226        0.7474
BFGS:    9 14:36:41      -64.719761        0.2674
BFGS:   10 14:36:41      -64.730286        0.0166
BFGS:   11 14:36:41      -64.730327        0.0001
BFGS:   12 14:36:41      -64.730327        0.0000
BFGS:   13 14:36:41      -64.730327        0.0000
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