element(s):
['Al', 'Cu']
AFLOW prototype label:
A2B_tP3_123_e_a
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:
['4.1364', '0.69686201']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  123
cell =  [[4.1364, 0, 0], [0, 4.1364, 0], [0, 0, 2.8825]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:13:03      -36.970431        11.406201
BFGS:    1 16:13:03      -38.236103         9.475790
BFGS:    2 16:13:03      -39.127914         6.821500
BFGS:    3 16:13:03      -39.600239         3.628353
BFGS:    4 16:13:04      -39.725760         1.016191
BFGS:    5 16:13:04      -39.759799         1.229713
BFGS:    6 16:13:04      -39.814982         2.135012
BFGS:    7 16:13:05      -39.773245         4.144652
BFGS:    8 16:13:05      -39.908950         1.314421
BFGS:    9 16:13:05      -39.941342         0.566209
BFGS:   10 16:13:05      -39.947417         0.288780
BFGS:   11 16:13:05      -39.948028         0.021848
BFGS:   12 16:13:06      -39.948031         0.000300
BFGS:   13 16:13:06      -39.948031         0.000010
BFGS:   14 16:13:06      -39.948031         0.000000
BFGS:   15 16:13:06      -39.948031         0.000000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.006651825975037e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cu']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.40797004e-35 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.094251864489747, 7.922205097133704e-36, 2.417335792399617e-33], [2.9685086750007777e-35, 4.094251864489746, 7.239607003046742e-18], [-4.5198619657257336e-33, 4.773643445310876e-18, 2.5518848628752697]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.13458138e-12 -2.13458138e-12 -6.00665183e-12  7.25560240e-29
 -2.94933997e-34 -8.07373552e-51]
energy per atom =  -13.316010409279265
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0