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 16:50:36       -5.282685         4.210253
BFGS:    1 16:50:37       -5.941993         4.569709
BFGS:    2 16:50:37       -6.649040         4.832790
BFGS:    3 16:50:37       -7.380711         4.874275
BFGS:    4 16:50:37       -8.096263         4.567395
BFGS:    5 16:50:37       -8.713189         3.504546
BFGS:    6 16:50:37       -9.087845         1.229842
BFGS:    7 16:50:37       -9.109804         0.803299
BFGS:    8 16:50:37       -9.121027         0.083251
BFGS:    9 16:50:37       -9.121160         0.004910
BFGS:   10 16:50:37       -9.121161         0.000033
BFGS:   11 16:50:37       -9.121161         0.000000
BFGS:   12 16:50:37       -9.121161         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.293633983479354e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.1133234665285414, 1.6428240805184002e-33, 4.269240894710348e-34], [4.3291197673619805e-33, 2.1133234665285414, 2.846050919831766e-17], [-3.510381974387073e-34, 2.8460509198317675e-17, 2.1133234665285414]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.29363398e-14  1.29363398e-14  1.29363398e-14 -6.45799307e-32
 -2.22801945e-34 -1.85452358e-51]
energy per atom =  -4.560580326095149
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0