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 16:25:10     -144.123555        20.595146
BFGS:    1 16:25:10     -146.289985        20.242850
BFGS:    2 16:25:10     -148.203715        19.817257
BFGS:    3 16:25:11     -149.914526        19.351993
BFGS:    4 16:25:11     -151.452951        18.790632
BFGS:    5 16:25:11     -152.853163        18.186528
BFGS:    6 16:25:11     -154.135465        17.496626
BFGS:    7 16:25:12     -155.312010        16.726455
BFGS:    8 16:25:12     -156.392582        15.881802
BFGS:    9 16:25:12     -157.383734        14.959275
BFGS:   10 16:25:13     -158.291745        14.041343
BFGS:   11 16:25:13     -159.114110        12.959416
BFGS:   12 16:25:13     -159.854823        11.787429
BFGS:   13 16:25:13     -160.513768        10.555026
BFGS:   14 16:25:14     -161.086433         9.194138
BFGS:   15 16:25:14     -161.571487         7.729470
BFGS:   16 16:25:14     -161.965452         6.166777
BFGS:   17 16:25:14     -162.264671         4.478704
BFGS:   18 16:25:15     -162.464423         2.707623
BFGS:   19 16:25:15     -162.559935         0.798978
BFGS:   20 16:25:15     -162.568448         0.125368
BFGS:   21 16:25:16     -162.568614         0.087306
BFGS:   22 16:25:16     -162.568886         0.026646
BFGS:   23 16:25:16     -162.568901         0.007762
BFGS:   24 16:25:16     -162.568902         0.000415
BFGS:   25 16:25:17     -162.568902         0.000022
BFGS:   26 16:25:17     -162.568902         0.000000
BFGS:   27 16:25:17     -162.568902         0.000000
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