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 20:15:41      -43.092183         8.437066
BFGS:    1 20:15:41      -44.370657         8.607923
BFGS:    2 20:15:41      -45.674111         8.769790
BFGS:    3 20:15:42      -47.001036         8.920487
BFGS:    4 20:15:42      -48.349575         9.057525
BFGS:    5 20:15:42      -49.717469         9.178065
BFGS:    6 20:15:42      -51.102009         9.278878
BFGS:    7 20:15:43      -52.499963         9.356284
BFGS:    8 20:15:43      -53.911893         9.449519
BFGS:    9 20:15:43      -55.331222         9.469056
BFGS:   10 20:15:44      -56.750742         9.452769
BFGS:   11 20:15:44      -58.164616         9.391041
BFGS:   12 20:15:45      -59.565523         9.278646
BFGS:   13 20:15:45      -60.945284         9.107712
BFGS:   14 20:15:45      -62.294465         8.869312
BFGS:   15 20:15:46      -63.606650         8.587680
BFGS:   16 20:15:46      -64.865740         8.184328
BFGS:   17 20:15:46      -66.056852         7.678993
BFGS:   18 20:15:47      -67.163605         7.056924
BFGS:   19 20:15:47      -68.168056         6.313042
BFGS:   20 20:15:47      -69.052100         5.452448
BFGS:   21 20:15:48      -69.791369         4.373572
BFGS:   22 20:15:48      -70.354268         3.096512
BFGS:   23 20:15:48      -70.709035         1.593569
BFGS:   24 20:15:49      -70.819479         0.166701
BFGS:   25 20:15:49      -70.820575         0.011969
BFGS:   26 20:15:49      -70.820581         0.000081
BFGS:   27 20:15:49      -70.820581         0.000000
BFGS:   28 20:15:49      -70.820581         0.000000
Minimization converged after 28 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.0589430174016016e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be', 'Be', 'Be', 'O', 'O', 'O', 'O']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 9.9309977e-34]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 0.0000000e+00]
 [1.9294839e-49 5.0000000e-01 9.9309977e-34]
 [0.0000000e+00 0.0000000e+00 5.0000000e-01]]
cellpar =  Cell([[3.1028986258250595, -1.8208844244236166e-32, 1.0957532899101217e-32], [1.0274854788856776e-33, 3.1028986258250595, -4.187479976530214e-17], [3.5170299052285774e-34, -4.1874799765302136e-17, 3.1028986258250595]])
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 =  [ 4.05894302e-14  4.05894302e-14  4.05894302e-14 -8.92837042e-31
 -3.41392533e-33  9.68814147e-50]
energy per atom =  -8.852572611323819
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0