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 15:26:46      -97.648141         1.817350
BFGS:    1 15:26:46      -97.784815         1.690408
BFGS:    2 15:26:46      -98.018247         1.413559
BFGS:    3 15:26:46      -98.207639         1.103261
BFGS:    4 15:26:46      -98.347399         0.754898
BFGS:    5 15:26:46      -98.433151         0.386688
BFGS:    6 15:26:46      -98.463250         0.014531
BFGS:    7 15:26:46      -98.463291         0.000891
BFGS:    8 15:26:46      -98.463291         0.000020
BFGS:    9 15:26:46      -98.463291         0.000000
BFGS:   10 15:26:46      -98.463291         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.2563163863611802e-30 eV/Angstrom
Maximum stress component: 5.865939246821107e-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]
 [2.91909998e-65 1.00000000e+00 1.00000000e+00]
 [3.94393728e-49 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, -1.0363632754594817e-32, 2.881615317348785e-34], [-9.245166616133662e-33, 5.2046550209273805, 4.899954986198909e-18], [-5.198944712932664e-34, 4.8999549861989106e-18, 5.2046550209273805]])
forces =  [[ 1.33650679e-32  2.77993413e-31 -7.00329560e-31]
 [ 1.30810602e-31 -2.67301359e-32 -9.19516674e-31]
 [ 4.81142446e-32  9.62284892e-32  1.15474187e-30]
 [ 1.25631639e-31  6.94983533e-32  8.55364348e-31]
 [ 2.11168073e-31 -1.01574516e-31  1.25631639e-30]
 [-2.69974372e-31 -8.66056403e-31  7.00329560e-31]
 [-2.09831567e-31 -8.33980239e-31 -9.08824620e-31]
 [ 3.43482246e-31 -1.76418897e-31 -6.09447098e-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 =  [-5.86593925e-14 -5.86593925e-14 -5.86593925e-14  5.11935825e-32
 -3.79188639e-34  4.18664886e-52]
energy per atom =  -8.205274231076913
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0