element(s):
['Al', 'Cu']
AFLOW prototype label:
A3B2_hP5_164_ad_d
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1367', '1.2167912', '0.6472319', '0.1573935']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Cu']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.3527681 ]
 [0.33333333 0.66666667 0.8426065 ]]
spacegroup =  164
cell =  [[4.1367, 0, 0], [-2.06835, 3.5824872878351, 0], [0, 0, 5.0335]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:38:40      -69.965987        12.633498
BFGS:    1 17:38:40      -71.721379        11.189955
BFGS:    2 17:38:40      -73.123063         9.632933
BFGS:    3 17:38:40      -74.232752         7.570561
BFGS:    4 17:38:40      -75.021362         5.023168
BFGS:    5 17:38:40      -75.448270         1.858697
BFGS:    6 17:38:40      -75.505584         0.312205
BFGS:    7 17:38:40      -75.507111         0.060143
BFGS:    8 17:38:40      -75.507119         0.066100
BFGS:    9 17:38:40      -75.507148         0.001955
BFGS:   10 17:38:40      -75.507148         0.000232
BFGS:   11 17:38:40      -75.507148         0.000035
BFGS:   12 17:38:40      -75.507148         0.000001
BFGS:   13 17:38:40      -75.507148         0.000000
BFGS:   14 17:38:40      -75.507148         0.000000
BFGS:   15 17:38:40      -75.507148         0.000000
BFGS:   16 17:38:40      -75.507148         0.000000
BFGS:   17 17:38:40      -75.507148         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.418284150701574e-09 eV/Angstrom
Maximum stress component: 4.2342451107516533e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Cu', 'Cu']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.35359098]
 [0.66666667 0.33333333 0.64640902]
 [0.33333333 0.66666667 0.8475933 ]
 [0.66666667 0.33333333 0.1524067 ]]
cellpar =  Cell([[3.908794438811643, 2.1985040745214005e-17, 7.82482236297222e-37], [-1.9543972194058215, 3.3851152821822192, 1.0681535108548447e-36], [6.099079448033034e-35, -8.976925985446751e-36, 4.834891204995802]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.05059753e-44 -4.49001992e-45  2.41828415e-09]
 [-3.05059753e-44  4.49001992e-45 -2.41828415e-09]
 [-5.13915853e-31  8.90128369e-31  3.91995161e-10]
 [ 4.11132683e-30  7.50940263e-46 -3.91995161e-10]]
stress =  [ 7.91385815e-11  7.91385815e-11 -4.23424511e-10  2.67824536e-44
  8.25002989e-45  2.17312120e-26]
energy per atom =  -15.10142952016248
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0