element(s):
['Au', 'Cu']
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:
['4.047']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Cu']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.047, 0, 0], [0, 4.047, 0], [0, 0, 4.047]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:06:34      -14.780779        1.0300
BFGS:    1 16:06:34      -14.823334        0.8970
BFGS:    2 16:06:34      -14.921154        0.3935
BFGS:    3 16:06:34      -14.941276        0.0597
BFGS:    4 16:06:34      -14.941711        0.0032
BFGS:    5 16:06:35      -14.941713        0.0000
BFGS:    6 16:06:35      -14.941713        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.136459531609487e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Cu']
basis =  [[4.33391630e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.87955596e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.87955596e-35]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.946936896055247, 1.8365991850743154e-33, 2.7750528457408685e-35], [2.062614090855548e-33, 3.946936896055247, -1.5714820882082717e-18], [-7.2724379488753365e-34, -1.5714820882082707e-18, 3.946936896055247]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.13645953e-10 -6.13645953e-10 -6.13645953e-10  3.41604480e-26
  4.21986757e-33 -1.55620965e-49]
energy per atom =  -3.735428178870834
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0