element(s):
['Al', 'Li']
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:
['4.0255']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Li']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.0255, 0, 0], [0, 4.0255, 0], [0, 0, 4.0255]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:22:46      -41.123648        16.560890
BFGS:    1 09:22:46      -43.666271        17.334130
BFGS:    2 09:22:46      -46.321214        18.053642
BFGS:    3 09:22:46      -49.078021        18.685951
BFGS:    4 09:22:46      -51.925412        19.239751
BFGS:    5 09:22:46      -54.838613        19.579255
BFGS:    6 09:22:46      -57.783709        19.644279
BFGS:    7 09:22:46      -60.713536        19.380492
BFGS:    8 09:22:46      -63.569263        18.603512
BFGS:    9 09:22:46      -66.262575        17.184709
BFGS:   10 09:22:46      -68.682334        14.917075
BFGS:   11 09:22:46      -70.692028        11.662793
BFGS:   12 09:22:46      -72.099898         6.831880
BFGS:   13 09:22:46      -72.650357         0.211131
BFGS:   14 09:22:46      -72.650766         0.040667
BFGS:   15 09:22:46      -72.650781         0.000171
BFGS:   16 09:22:46      -72.650781         0.000000
BFGS:   17 09:22:46      -72.650781         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.522977552410172e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Li']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.10319019e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.10319019e-16]
 [0.00000000e+00 1.10319019e-16 1.10319019e-16]]
cellpar =  Cell([[3.370009691940946, -4.657978215973654e-35, 1.0838826394419614e-33], [1.020042166828442e-32, 3.370009691940946, -8.381372427549079e-18], [-1.5083582057784769e-33, -8.38137242754907e-18, 3.370009691940946]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.52297755e-14 -3.52297755e-14 -3.52297755e-14  1.52505373e-31
  1.44709451e-33 -3.91080732e-51]
energy per atom =  -18.16269533027283
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0