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 11:29:39      -46.621102         5.355387
BFGS:    1 11:29:39      -46.990727         4.751564
BFGS:    2 11:29:39      -47.336499         4.108785
BFGS:    3 11:29:39      -47.651330         3.419407
BFGS:    4 11:29:39      -47.925772         2.693803
BFGS:    5 11:29:40      -48.151591         2.198981
BFGS:    6 11:29:40      -48.330843         1.648472
BFGS:    7 11:29:40      -48.453162         1.074118
BFGS:    8 11:29:40      -48.515479         0.502147
BFGS:    9 11:29:40      -48.525407         0.166527
BFGS:   10 11:29:40      -48.526441         0.161342
BFGS:   11 11:29:40      -48.540266         0.100576
BFGS:   12 11:29:40      -48.547089         0.033200
BFGS:   13 11:29:40      -48.547742         0.003021
BFGS:   14 11:29:40      -48.547745         0.000037
BFGS:   15 11:29:41      -48.547745         0.000002
BFGS:   16 11:29:41      -48.547745         0.000000
BFGS:   17 11:29:41      -48.547745         0.000000
Minimization converged after 17 steps.
Maximum force component: 5.704800326326721e-31 eV/Angstrom
Maximum stress component: 1.5286720141313374e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'U', 'U', 'U']
basis =  [[0.         0.         0.        ]
 [0.66666667 0.33333333 0.33333333]
 [0.33333333 0.66666667 0.66666667]
 [1.         1.         0.5       ]
 [0.66666667 0.33333333 0.83333333]
 [0.33333333 0.66666667 0.16666667]]
cellpar =  Cell([[3.401080165133023, 5.120208479240755e-17, -1.2738047700672749e-36], [-1.7005400825665116, 2.9454218233125715, -2.5343357435627837e-36], [-3.821871264952657e-36, -1.3229150061449463e-35, 8.330910978643509]])
forces =  [[ 1.39738499e-32 -4.03390300e-32 -1.71144010e-31]
 [-4.19215497e-32  8.06780599e-33 -1.36915208e-31]
 [ 3.72635997e-32 -6.45424479e-32 -1.82553610e-31]
 [-9.31589992e-32 -1.61356120e-32  5.47660831e-31]
 [-3.72635997e-32 -5.60990597e-49 -5.70480033e-31]
 [-1.11790799e-31 -1.68297179e-48  5.47660831e-31]]
stress =  [ 3.83525183e-12  3.83525183e-12 -1.52867201e-11 -6.02052240e-46
 -2.08931142e-46  5.88736912e-28]
energy per atom =  -8.091290827861037
===============================================
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.