element(s):
['N', 'U']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.328']
model name:
Sim_LAMMPS_ADP_TseplyaevStarikov_2016_UN__SM_474015477315_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'U']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[5.328, 0, 0], [0, 5.328, 0], [0, 0, 5.328]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:08:50      -97.648141         1.817350
BFGS:    1 16:08:50      -97.784815         1.690408
BFGS:    2 16:08:50      -98.018247         1.413559
BFGS:    3 16:08:50      -98.207639         1.103261
BFGS:    4 16:08:50      -98.347399         0.754898
BFGS:    5 16:08:50      -98.433151         0.386688
BFGS:    6 16:08:50      -98.463250         0.014531
BFGS:    7 16:08:50      -98.463291         0.000891
BFGS:    8 16:08:50      -98.463291         0.000020
BFGS:    9 16:08:50      -98.463291         0.000000
BFGS:   10 16:08:50      -98.463291         0.000000
Minimization converged after 10 steps.
Maximum force component: 8.31307225868781e-31 eV/Angstrom
Maximum stress component: 5.87089416285736e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'U', 'U', 'U', 'U']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [0.00000000e+00 1.00000000e+00 1.00000000e+00]
 [1.31464576e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]]
cellpar =  Cell([[5.2046550209273805, 2.4114222109195392e-32, -1.154576544256481e-32], [2.056811510366255e-32, 5.2046550209273805, -2.8500192345671363e-18], [1.1722839071261223e-32, -2.8500192345671483e-18, 5.2046550209273805]])
forces =  [[ 3.84913957e-31 -5.07872582e-31  2.13841087e-31]
 [-7.21713669e-31  1.06920544e-31 -3.15415603e-31]
 [ 5.45294772e-31 -5.74697921e-31 -4.00952038e-32]
 [-6.41523261e-31 -1.81764924e-31 -4.75796419e-31]
 [-2.67301359e-31 -8.31307226e-31  1.52361775e-31]
 [-1.17612598e-31  1.71072870e-31 -7.16367642e-31]
 [ 7.48443805e-32  3.58183821e-31 -2.99377522e-31]
 [-2.99377522e-31 -5.88062989e-31  3.04723549e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.87089416e-14 -5.87089416e-14 -5.87089416e-14 -3.20153346e-32
 -6.16181538e-34 -1.00533161e-52]
energy per atom =  -8.205274231076912
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0