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 16:55:23     -144.123555        20.595146
BFGS:    1 16:55:23     -146.289985        20.242850
BFGS:    2 16:55:24     -148.203715        19.817257
BFGS:    3 16:55:24     -149.914526        19.351993
BFGS:    4 16:55:24     -151.452951        18.790632
BFGS:    5 16:55:24     -152.853163        18.186528
BFGS:    6 16:55:24     -154.135465        17.496626
BFGS:    7 16:55:24     -155.312010        16.726455
BFGS:    8 16:55:24     -156.392582        15.881802
BFGS:    9 16:55:24     -157.383734        14.959275
BFGS:   10 16:55:24     -158.291745        14.041343
BFGS:   11 16:55:24     -159.114110        12.959416
BFGS:   12 16:55:24     -159.854823        11.787429
BFGS:   13 16:55:24     -160.513768        10.555026
BFGS:   14 16:55:24     -161.086433         9.194138
BFGS:   15 16:55:24     -161.571487         7.729470
BFGS:   16 16:55:24     -161.965452         6.166777
BFGS:   17 16:55:24     -162.264671         4.478704
BFGS:   18 16:55:24     -162.464423         2.707623
BFGS:   19 16:55:24     -162.559935         0.798978
BFGS:   20 16:55:24     -162.568448         0.125368
BFGS:   21 16:55:25     -162.568614         0.087306
BFGS:   22 16:55:25     -162.568886         0.026646
BFGS:   23 16:55:25     -162.568901         0.007762
BFGS:   24 16:55:25     -162.568902         0.000415
BFGS:   25 16:55:25     -162.568902         0.000022
BFGS:   26 16:55:25     -162.568902         0.000000
BFGS:   27 16:55:25     -162.568902         0.000000
Minimization converged after 27 steps.
Maximum force component: 1.0077972177906287e-29 eV/Angstrom
Maximum stress component: 4.754483446786188e-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]
 [1.73885534e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [1.77888546e-34 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.10175011e-34]]
cellpar =  Cell([[3.6532002711997693, 1.78516520881745e-36, -4.3834390460683046e-32], [3.077050038591702e-36, 3.6532002711997693, -1.1769509723205037e-18], [-2.341406957252667e-32, -2.0627163240896308e-19, 7.300198560232173]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.20466718e-31 -2.84759347e-49  1.00779722e-29]
 [ 3.60233359e-31 -1.81788333e-49  6.43370545e-30]
 [-1.47907853e-62 -1.30302826e-49  4.61157209e-30]
 [ 7.20466718e-31  9.28010371e-50 -3.28433915e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.93554843e-10 -1.93554843e-10 -4.75448345e-10  1.69109691e-25
 -1.32877104e-33  4.42569659e-49]
energy per atom =  -20.32111278017056
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0