element(s):
['Al', 'Li']
AFLOW prototype label:
AB_hP8_194_bc_f
Parameter names:
['a', 'c/a', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.466', '1.9322436', '0.58348746']
model name:
MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Li']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.58348746]]
spacegroup =  194
cell =  [[4.466, 0, 0], [-2.233, 3.8676694533013, 0], [0, 0, 8.6294]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 22:33:01      -17.993850         0.261662
BFGS:    1 22:33:01      -17.998402         0.250176
BFGS:    2 22:33:02      -18.042100         0.158161
BFGS:    3 22:33:02      -18.052883         0.204702
BFGS:    4 22:33:02      -18.053703         0.201349
BFGS:    5 22:33:02      -18.064938         0.162370
BFGS:    6 22:33:02      -18.073180         0.134173
BFGS:    7 22:33:02      -18.080217         0.111519
BFGS:    8 22:33:03      -18.086099         0.092867
BFGS:    9 22:33:03      -18.090538         0.077839
BFGS:   10 22:33:03      -18.093222         0.082055
BFGS:   11 22:33:03      -18.094086         0.097871
BFGS:   12 22:33:03      -18.094693         0.101492
BFGS:   13 22:33:03      -18.096647         0.099395
BFGS:   14 22:33:04      -18.099401         0.081166
BFGS:   15 22:33:04      -18.102541         0.046296
BFGS:   16 22:33:04      -18.104524         0.025096
BFGS:   17 22:33:04      -18.104854         0.007345
BFGS:   18 22:33:04      -18.104894         0.000697
BFGS:   19 22:33:05      -18.104895         0.000216
BFGS:   20 22:33:05      -18.104895         0.000064
BFGS:   21 22:33:05      -18.104895         0.000023
BFGS:   22 22:33:05      -18.104895         0.000003
BFGS:   23 22:33:05      -18.104895         0.000000
BFGS:   24 22:33:05      -18.104895         0.000000
Minimization converged after 24 steps.
Maximum force component: 4.6511957835573825e-09 eV/Angstrom
Maximum stress component: 2.3283205447072726e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Li', 'Li', 'Li', 'Li']
basis =  [[1.25991191e-34 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 8.72301284e-35 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 5.98314171e-01]
 [6.66666667e-01 3.33333333e-01 9.83141709e-02]
 [6.66666667e-01 3.33333333e-01 4.01685829e-01]
 [3.33333333e-01 6.66666667e-01 9.01685829e-01]]
cellpar =  Cell([[4.394092922886974, -7.927563900871432e-18, 1.2876624546377209e-36], [-2.197046461443487, 3.805396097809536, 2.0583403442302627e-36], [1.265574127941813e-36, 1.9477985153531248e-35, 9.217257110625617]])
forces =  [[-5.64181009e-33  1.95438035e-33 -2.65513615e-70]
 [ 5.64181009e-33 -1.95438035e-33  2.65513615e-70]
 [ 9.59107716e-33 -9.77190173e-34  2.95863191e-33]
 [-7.89853413e-33  1.95438035e-33 -9.26832996e-70]
 [-4.79553858e-33 -3.42016560e-33 -4.65119578e-09]
 [-4.51344807e-33  1.95438035e-33 -4.65119578e-09]
 [-5.64181009e-33  3.90876069e-33  4.65119578e-09]
 [ 7.05226262e-33 -4.88595086e-34  4.65119578e-09]]
stress =  [ 1.47399540e-10  1.47399540e-10 -2.32832054e-10  2.92844885e-34
  1.01444444e-34 -1.83677251e-26]
energy per atom =  -2.2631118814192748
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0