element(s):
['Be']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.512']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Be']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[2.512, 0, 0], [0, 2.512, 0], [0, 0, 2.512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:59:10       -5.282685         4.210253
BFGS:    1 15:59:11       -5.941993         4.569709
BFGS:    2 15:59:11       -6.649040         4.832790
BFGS:    3 15:59:11       -7.380711         4.874275
BFGS:    4 15:59:11       -8.096263         4.567395
BFGS:    5 15:59:11       -8.713189         3.504546
BFGS:    6 15:59:11       -9.087845         1.229842
BFGS:    7 15:59:11       -9.109804         0.803299
BFGS:    8 15:59:11       -9.121027         0.083251
BFGS:    9 15:59:11       -9.121160         0.004910
BFGS:   10 15:59:11       -9.121161         0.000033
BFGS:   11 15:59:11       -9.121161         0.000000
BFGS:   12 15:59:11       -9.121161         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.234383197888726e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.113323466528541, -2.8905451709586324e-33, 1.796072397845083e-34], [2.2105585283484874e-33, 2.113323466528541, 1.2955896217390476e-17], [-2.6754798377351536e-33, 1.2955896217390527e-17, 2.113323466528541]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.23438320e-15  9.23438320e-15  9.23438320e-15 -2.02037602e-30
 -1.83991284e-33  2.00862904e-49]
energy per atom =  -4.560580326095145
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0