element(s):
['U']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7679']
model name:
Sim_LAMMPS_ADP_TseplyaevStarikov_2016_UN__SM_474015477315_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['U']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.7679, 0, 0], [0, 3.7679, 0], [0, 0, 3.7679]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:15:33       -9.370232         2.210472
BFGS:    1 17:15:33       -9.588349         2.544861
BFGS:    2 17:15:33      -10.020853         3.057741
BFGS:    3 17:15:33      -10.458595         2.615228
BFGS:    4 17:15:33      -10.737552         0.892235
BFGS:    5 17:15:33      -10.756316         0.447260
BFGS:    6 17:15:33      -10.761794         0.023487
BFGS:    7 17:15:33      -10.761809         0.000218
BFGS:    8 17:15:33      -10.761809         0.000000
BFGS:    9 17:15:33      -10.761809         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.498953295347919e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['U', 'U']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.392503784713307, 2.1372999273541122e-32, 7.497925407028329e-34], [1.8811504909095282e-32, 3.392503784713307, 1.7456465776189734e-17], [2.770451845229961e-33, 1.7456465776189725e-17, 3.392503784713307]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.49895330e-15  3.49895330e-15  3.49895330e-15 -8.53041766e-32
  8.92480081e-35 -5.70141276e-52]
energy per atom =  -5.380904527796548
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0