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:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== 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 16:21:17       -8.771132         1.055093
BFGS:    1 16:21:17       -8.812719         0.953748
BFGS:    2 16:21:17       -8.919928         0.640216
BFGS:    3 16:21:17       -8.983818         0.351576
BFGS:    4 16:21:17       -9.006851         0.091571
BFGS:    5 16:21:17       -9.007141         0.109194
BFGS:    6 16:21:17       -9.007865         0.134641
BFGS:    7 16:21:17       -9.009886         0.176289
BFGS:    8 16:21:17       -9.014375         0.220487
BFGS:    9 16:21:17       -9.018465         0.211711
BFGS:   10 16:21:17       -9.022535         0.145114
BFGS:   11 16:21:17       -9.026124         0.033838
BFGS:   12 16:21:17       -9.026399         0.001474
BFGS:   13 16:21:17       -9.026400         0.000114
BFGS:   14 16:21:17       -9.026400         0.000005
BFGS:   15 16:21:17       -9.026400         0.000000
BFGS:   16 16:21:17       -9.026400         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.283044911239967e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cu']
basis =  [[2.19604516e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.84288563e-34 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.503199491860184, 7.59230510881741e-36, 3.3101099978411717e-32], [-2.788275403123782e-36, 4.503199491860184, -5.083269372410897e-17], [-3.5546852307056017e-32, -3.553370736607249e-17, 2.8325871474766924]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.28304491e-11 -5.28304491e-11  2.73457823e-11  2.25990594e-27
  3.15947557e-38 -2.60261378e-54]
energy per atom =  -3.00880016206887
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0