element(s):
['Al', 'V']
AFLOW prototype label:
A3B_tI8_139_ad_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7755', '2.201907']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.7755, 0, 0], [0, 3.7755, 0], [0, 0, 8.3133]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:11     -144.123555       20.5951
BFGS:    1 15:45:11     -146.289985       20.2428
BFGS:    2 15:45:11     -148.203715       19.8173
BFGS:    3 15:45:11     -149.914526       19.3520
BFGS:    4 15:45:11     -151.452951       18.7906
BFGS:    5 15:45:11     -152.853163       18.1865
BFGS:    6 15:45:11     -154.135465       17.4966
BFGS:    7 15:45:11     -155.312010       16.7265
BFGS:    8 15:45:11     -156.392582       15.8818
BFGS:    9 15:45:11     -157.383734       14.9593
BFGS:   10 15:45:11     -158.291745       14.0413
BFGS:   11 15:45:11     -159.114110       12.9594
BFGS:   12 15:45:11     -159.854823       11.7874
BFGS:   13 15:45:11     -160.513768       10.5550
BFGS:   14 15:45:11     -161.086433        9.1941
BFGS:   15 15:45:11     -161.571487        7.7295
BFGS:   16 15:45:11     -161.965452        6.1668
BFGS:   17 15:45:11     -162.264671        4.4787
BFGS:   18 15:45:11     -162.464423        2.7076
BFGS:   19 15:45:11     -162.559935        0.7990
BFGS:   20 15:45:11     -162.568448        0.1254
BFGS:   21 15:45:11     -162.568614        0.0873
BFGS:   22 15:45:11     -162.568886        0.0266
BFGS:   23 15:45:11     -162.568901        0.0078
BFGS:   24 15:45:11     -162.568902        0.0004
BFGS:   25 15:45:11     -162.568902        0.0000
BFGS:   26 15:45:11     -162.568902        0.0000
BFGS:   27 15:45:11     -162.568902        0.0000
Minimization converged after 27 steps.
Maximum force component: 1.9571062041916236e-30 eV/Angstrom
Maximum stress component: 4.754409057782795e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 6.74802952e-33 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 2.69921181e-32 7.50000000e-01]
 [0.00000000e+00 1.34960590e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6532002711997693, -3.516164497091888e-35, 1.0580268536314332e-32], [-2.1055170858604843e-35, 3.6532002711997693, 9.240922371278386e-17], [-1.141205003238802e-32, 2.0990104878361208e-16, 7.300198560232175]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.00583398e-32 -4.65701432e-47 -1.61967410e-30]
 [ 5.62864624e-32 -5.62722564e-47 -1.95710620e-30]
 [ 9.00583398e-32  1.03489207e-47  3.59927578e-31]
 [-5.62864624e-32 -4.85105658e-49 -1.68716052e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.93551012e-10 -1.93551012e-10 -4.75440906e-10 -1.26860085e-25
  3.69744986e-33  8.19604995e-49]
energy per atom =  -20.32111278017054
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0