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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 14:46:50       13.859881       89.2140
BFGS:    1 14:46:50        0.977906       82.5477
BFGS:    2 14:46:50      -10.925618       76.2368
BFGS:    3 14:46:51      -21.913693       70.3371
BFGS:    4 14:46:51      -32.045974       64.8220
BFGS:    5 14:46:51      -41.378277       59.6667
BFGS:    6 14:46:51      -49.962834       54.8483
BFGS:    7 14:46:51      -57.849002       50.3618
BFGS:    8 14:46:51      -65.084059       46.1532
BFGS:    9 14:46:51      -71.708768       42.2208
BFGS:   10 14:46:51      -77.763229       38.5470
BFGS:   11 14:46:51      -83.284989       35.1155
BFGS:   12 14:46:51      -88.309204       31.9106
BFGS:   13 14:46:51      -92.868799       28.9182
BFGS:   14 14:46:51      -96.994610       26.1247
BFGS:   15 14:46:51     -100.715516       23.5175
BFGS:   16 14:46:51     -104.058570       21.0848
BFGS:   17 14:46:51     -107.049204       18.8209
BFGS:   18 14:46:51     -109.711773       16.7047
BFGS:   19 14:46:51     -112.067791       14.7320
BFGS:   20 14:46:52     -114.138097       12.8938
BFGS:   21 14:46:52     -115.942214       11.1815
BFGS:   22 14:46:52     -117.501640        9.6251
BFGS:   23 14:46:52     -118.832713        8.1404
BFGS:   24 14:46:52     -119.954411        6.8047
BFGS:   25 14:46:52     -120.877558        5.5196
BFGS:   26 14:46:52     -121.614843        4.3255
BFGS:   27 14:46:52     -122.179484        3.2168
BFGS:   28 14:46:52     -122.583869        2.1879
BFGS:   29 14:46:52     -122.840129        1.2390
BFGS:   30 14:46:52     -122.958834        0.3550
BFGS:   31 14:46:52     -122.970041        0.0187
BFGS:   32 14:46:52     -122.970073        0.0003
BFGS:   33 14:46:52     -122.970073        0.0000
BFGS:   34 14:46:52     -122.970073        0.0000
Minimization converged after 34 steps.
Maximum force component: 1.8844795098281154e-29 eV/Angstrom
Maximum stress component: 2.4274292158477835e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'U', 'U', 'U', 'U']
basis =  [[0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]
 [0.   1.   1.  ]
 [0.   0.5  0.5 ]
 [0.5  1.   0.5 ]
 [0.5  0.5  1.  ]]
cellpar =  Cell([[6.003421776129199, 2.2805427727748357e-32, 4.3959178134043096e-33], [1.4415565725888658e-32, 6.003421776129199, 6.557865607479888e-18], [-6.702060234944773e-33, 6.557865607479898e-18, 6.003421776129199]])
forces =  [[-3.94655395e-31 -1.71675097e-29 -1.89927909e-30]
 [-3.26823999e-30  1.88324621e-29 -1.01130445e-29]
 [-9.86638487e-32 -1.42075942e-29  1.26289726e-29]
 [-5.91983092e-31  1.88447951e-29  6.70914171e-30]
 [ 3.35457086e-30 -1.71675097e-29  1.04583680e-29]
 [-3.97121991e-30  1.69455160e-29  8.09043559e-30]
 [-3.15724316e-30  1.45529177e-29 -9.31140072e-30]
 [ 4.01438534e-30 -1.55888881e-29 -1.15375038e-29]
 [ 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 =  [-2.42742922e-13 -2.42742922e-13 -2.42742922e-13  1.19581810e-30
  1.13999118e-34 -5.17236096e-52]
energy per atom =  -10.247506075680347
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0