element(s):
['Be', 'O']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8249']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Be', 'O']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[3.8249, 0, 0], [0, 3.8249, 0], [0, 0, 3.8249]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:34:26      -37.585963        4.3126
BFGS:    1 09:34:26      -38.215938        4.0794
BFGS:    2 09:34:26      -38.807355        3.7975
BFGS:    3 09:34:26      -39.352460        3.4608
BFGS:    4 09:34:26      -39.842510        3.0622
BFGS:    5 09:34:26      -40.267648        2.5940
BFGS:    6 09:34:26      -40.616776        2.0472
BFGS:    7 09:34:26      -40.877401        1.4122
BFGS:    8 09:34:26      -41.037595        0.6925
BFGS:    9 09:34:26      -41.080322        0.1187
BFGS:   10 09:34:26      -41.081499        0.0069
BFGS:   11 09:34:26      -41.081503        0.0001
BFGS:   12 09:34:26      -41.081503        0.0000
BFGS:   13 09:34:26      -41.081503        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.1878372338118935e-30 eV/Angstrom
Maximum stress component: 3.2700447518391806e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be', 'Be', 'Be', 'O', 'O', 'O', 'O']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[3.613830197796207, -2.6612319829634926e-33, -4.0142724457822024e-33], [8.76910822734775e-34, 3.613830197796207, -1.2153697457319178e-17], [4.864755977840296e-34, -1.2153697457319182e-17, 3.613830197796207]])
forces =  [[ 3.60292013e-66  1.48479654e-32 -4.99352957e-50]
 [ 1.48479654e-32  1.48479654e-32  1.48479654e-32]
 [ 1.48479654e-32 -1.09340722e-65 -1.64932427e-65]
 [ 1.99875823e-66 -4.99352957e-50  1.48479654e-32]
 [-2.96959308e-31  8.90877925e-32 -4.75134894e-31]
 [-2.39423442e-31  6.86718401e-32  1.18783723e-30]
 [-7.42398271e-32  2.37567447e-31  5.04830824e-31]
 [-3.56351170e-31  2.31535461e-31  6.23614548e-31]]
stress =  [ 3.27004475e-14  3.27004475e-14  3.27004475e-14  4.61507487e-31
 -2.51682898e-33  5.40637529e-49]
energy per atom =  -5.135187919834721
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0