element(s):
['Al', 'V']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9835']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'V']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.9835, 0, 0], [0, 3.9835, 0], [0, 0, 3.9835]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:06:49      -67.767740       19.7977
BFGS:    1 16:06:49      -70.692121       19.1174
BFGS:    2 16:06:49      -73.476690       17.9108
BFGS:    3 16:06:49      -76.035394       16.0842
BFGS:    4 16:06:49      -78.267994       13.4379
BFGS:    5 16:06:49      -80.009730        9.5754
BFGS:    6 16:06:49      -81.069427        4.2863
BFGS:    7 16:06:50      -81.266965        1.2758
BFGS:    8 16:06:50      -81.282826        0.1257
BFGS:    9 16:06:50      -81.282987        0.0030
BFGS:   10 16:06:50      -81.282987        0.0000
BFGS:   11 16:06:50      -81.282987        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.249833505590414e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'V']
basis =  [[1.87316429e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.31812219e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.27248874e-35]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.652791002940057, -2.737774785999847e-32, -6.231069187814407e-35], [-7.143535086807746e-33, 3.652791002940057, 6.280136313981211e-19], [-8.181897651605473e-33, 6.280136313981316e-19, 3.652791002940057]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [3.24983351e-11 3.24983351e-11 3.24983351e-11 3.51356144e-28
 2.46342613e-33 2.46796859e-49]
energy per atom =  -20.32074684001169
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0