element(s):
['Al', 'Cu']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8417']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu', 'Cu']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.8417, 0, 0], [0, 5.8417, 0], [0, 0, 5.8417]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:53:07      -52.669049        0.6207
BFGS:    1 13:53:07      -52.685367        0.6062
BFGS:    2 13:53:07      -52.770238        0.5258
BFGS:    3 13:53:07      -52.843194        0.4473
BFGS:    4 13:53:07      -52.904535        0.3709
BFGS:    5 13:53:07      -52.954549        0.2963
BFGS:    6 13:53:07      -52.993515        0.2235
BFGS:    7 13:53:07      -53.021697        0.1525
BFGS:    8 13:53:07      -53.039345        0.0831
BFGS:    9 13:53:07      -53.046689        0.0151
BFGS:   10 13:53:07      -53.046943        0.0002
BFGS:   11 13:53:07      -53.046943        0.0000
BFGS:   12 13:53:07      -53.046943        0.0000
Minimization converged after 12 steps.
Maximum force component: 5.357393334677474e-31 eV/Angstrom
Maximum stress component: 7.333605239103645e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.42503377e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.21251688e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.31028714e-67 4.56526107e-49]
 [0.00000000e+00 5.00000000e-01 3.21251688e-35]
 [4.27993225e-50 0.00000000e+00 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.99508115982355, 6.813819125852936e-32, 2.8572794902889406e-32], [3.922943194822436e-32, 5.99508115982355, -3.033859114971239e-18], [-1.030050108485015e-33, -3.0338591149712265e-18, 5.99508115982355]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.04684697e-31  1.46250680e-32 -1.33357528e-31]
 [-5.54213104e-32 -5.23423487e-32 -5.35739333e-31]
 [-6.61976763e-32 -7.69740422e-33  1.47790161e-31]
 [-6.46581954e-32 -1.84737701e-32  1.53948084e-32]
 [ 1.00066255e-32  1.01605736e-31  4.75699581e-31]
 [ 5.54213104e-32 -1.04684697e-31  3.75633326e-31]
 [-2.15527318e-32 -2.70948628e-31 -1.70882374e-31]
 [ 2.00132510e-32  1.35474314e-31 -1.57027046e-31]]
stress =  [-7.33360524e-13 -7.33360524e-13 -7.33360524e-13 -1.31963342e-29
  5.71582700e-35  4.78461656e-52]
energy per atom =  -3.315433916445839
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0