element(s):
['N', 'U']
AFLOW prototype label:
AB_hR2_166_a_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5114556', '2.6143467']
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.  0.  0.5]]
spacegroup =  166
cell =  [[3.5115, 0, 0], [-1.75575, 3.0410482053891, 0], [0, 0, 9.1802]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:21:59      -46.621102         5.355387
BFGS:    1 12:21:59      -46.990727         4.751564
BFGS:    2 12:21:59      -47.336499         4.108785
BFGS:    3 12:21:59      -47.651330         3.419407
BFGS:    4 12:21:59      -47.925772         2.693803
BFGS:    5 12:21:59      -48.151591         2.198981
BFGS:    6 12:21:59      -48.330843         1.648472
BFGS:    7 12:21:59      -48.453162         1.074118
BFGS:    8 12:21:59      -48.515479         0.502147
BFGS:    9 12:21:59      -48.525407         0.166527
BFGS:   10 12:21:59      -48.526441         0.161342
BFGS:   11 12:21:59      -48.540266         0.100576
BFGS:   12 12:21:59      -48.547089         0.033200
BFGS:   13 12:21:59      -48.547742         0.003021
BFGS:   14 12:21:59      -48.547745         0.000037
BFGS:   15 12:21:59      -48.547745         0.000002
BFGS:   16 12:21:59      -48.547745         0.000000
BFGS:   17 12:21:59      -48.547745         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.651072208849102e-31 eV/Angstrom
Maximum stress component: 1.5287637058491575e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'U', 'U', 'U']
basis =  [[5.13581319e-33 1.96872839e-33 0.00000000e+00]
 [6.66666667e-01 3.33333333e-01 3.33333333e-01]
 [3.33333333e-01 6.66666667e-01 6.66666667e-01]
 [1.00000000e+00 1.00000000e+00 5.00000000e-01]
 [6.66666667e-01 3.33333333e-01 8.33333333e-01]
 [3.33333333e-01 6.66666667e-01 1.66666667e-01]]
cellpar =  Cell([[3.401080165133022, 1.963581560997894e-17, -1.2900935062823144e-35], [-1.700540082566511, 2.9454218233125706, -2.52598835630688e-35], [-3.729374857675611e-35, -9.66605415603564e-35, 8.330910978643509]])
forces =  [[-4.65794996e-33 -8.06780599e-33  1.04526312e-67]
 [-4.65794996e-33  8.06780599e-33 -6.91893563e-68]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.65794996e-33  1.61356120e-32  3.65107221e-31]
 [ 3.72635997e-32  2.15137879e-49 -3.42288020e-31]
 [-1.63442113e-66 -4.23620680e-66  3.65107221e-31]]
stress =  [ 3.83403597e-12  3.83403597e-12 -1.52876371e-11 -2.23253331e-34
 -2.25243717e-45 -1.80315630e-27]
energy per atom =  -8.09129082786104
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_hR2_166_a_b, while relaxed is AB_cF8_225_a_b. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.