element(s):
['Be', 'O']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6481']
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. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[3.6481, 0, 0], [0, 3.6481, 0], [0, 0, 3.6481]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:25:38      -43.092183         8.437066
BFGS:    1 15:25:38      -44.370657         8.607923
BFGS:    2 15:25:38      -45.674111         8.769790
BFGS:    3 15:25:38      -47.001036         8.920487
BFGS:    4 15:25:39      -48.349575         9.057525
BFGS:    5 15:25:39      -49.717469         9.178065
BFGS:    6 15:25:39      -51.102009         9.278878
BFGS:    7 15:25:39      -52.499963         9.356284
BFGS:    8 15:25:39      -53.911893         9.449519
BFGS:    9 15:25:39      -55.331222         9.469056
BFGS:   10 15:25:39      -56.750742         9.452769
BFGS:   11 15:25:39      -58.164616         9.391041
BFGS:   12 15:25:39      -59.565523         9.278646
BFGS:   13 15:25:39      -60.945284         9.107712
BFGS:   14 15:25:39      -62.294465         8.869312
BFGS:   15 15:25:39      -63.606650         8.587680
BFGS:   16 15:25:39      -64.865740         8.184328
BFGS:   17 15:25:39      -66.056852         7.678993
BFGS:   18 15:25:39      -67.163605         7.056924
BFGS:   19 15:25:39      -68.168056         6.313042
BFGS:   20 15:25:39      -69.052100         5.452448
BFGS:   21 15:25:39      -69.791369         4.373572
BFGS:   22 15:25:39      -70.354268         3.096512
BFGS:   23 15:25:39      -70.709035         1.593569
BFGS:   24 15:25:40      -70.819479         0.166701
BFGS:   25 15:25:40      -70.820575         0.011969
BFGS:   26 15:25:40      -70.820581         0.000081
BFGS:   27 15:25:40      -70.820581         0.000000
BFGS:   28 15:25:40      -70.820581         0.000000
Minimization converged after 28 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.056430313233799e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be', 'Be', 'Be', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.64614935e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.64614935e-48 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.102898625825059, -2.625762727810994e-32, 4.816796937486342e-33], [-2.3489529714980118e-32, 3.1028986258250586, 1.675156870036389e-17], [-3.26036815986801e-33, 1.6751568700363897e-17, 3.102898625825059]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.05643031e-14  3.05643031e-14  3.05643031e-14 -2.98495091e-32
  4.26740666e-34 -3.82357534e-52]
energy per atom =  -8.85257261132382
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0