element(s):
['Al', 'Cu']
AFLOW prototype label:
A2B_tI12_140_h_a
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.054', '0.80492237', '0.15849647']
model name:
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu']
representative atom coordinates =  [[0.15849647 0.65849647 0.        ]
 [0.         0.         0.25      ]]
spacegroup =  140
cell =  [[6.054, 0, 0], [0, 6.054, 0], [0, 0, 4.873]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:08:28      -41.669057         0.324096
BFGS:    1 12:08:28      -41.683270         0.298136
BFGS:    2 12:08:28      -41.761457         0.143832
BFGS:    3 12:08:29      -41.762331         0.135986
BFGS:    4 12:08:29      -41.764832         0.110780
BFGS:    5 12:08:29      -41.758535         0.068047
BFGS:    6 12:08:29      -41.761680         0.053086
BFGS:    7 12:08:29      -41.762672         0.055711
BFGS:    8 12:08:30      -41.762903         0.049375
BFGS:    9 12:08:30      -41.762952         0.046682
BFGS:   10 12:08:30      -41.763148         0.038122
BFGS:   11 12:08:30      -41.763511         0.026049
BFGS:   12 12:08:30      -41.764242         0.025335
BFGS:   13 12:08:30      -41.765080         0.022299
BFGS:   14 12:08:31      -41.765570         0.010419
BFGS:   15 12:08:31      -41.765674         0.003093
BFGS:   16 12:08:31      -41.765679         0.000253
BFGS:   17 12:08:31      -41.765679         0.000013
BFGS:   18 12:08:31      -41.765679         0.000001
BFGS:   19 12:08:31      -41.765679         0.000000
BFGS:   20 12:08:31      -41.765679         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.7170933532861003e-09 eV/Angstrom
Maximum stress component: 4.112026625915624e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Cu', 'Cu', 'Cu', 'Cu']
basis =  [[1.52114341e-01 6.52114341e-01 0.00000000e+00]
 [8.47885659e-01 3.47885659e-01 7.91865467e-35]
 [3.47885659e-01 1.52114341e-01 0.00000000e+00]
 [6.52114341e-01 8.47885659e-01 0.00000000e+00]
 [8.47885659e-01 6.52114341e-01 5.00000000e-01]
 [1.52114341e-01 3.47885659e-01 5.00000000e-01]
 [6.52114341e-01 1.52114341e-01 5.00000000e-01]
 [3.47885659e-01 8.47885659e-01 5.00000000e-01]
 [7.33546762e-17 1.00000000e+00 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 7.50000000e-01]
 [7.33546762e-17 1.00000000e+00 7.50000000e-01]
 [5.00000000e-01 5.00000000e-01 2.50000000e-01]]
cellpar =  Cell([[6.1352002921532724, -5.802449551472056e-37, 1.8835856719019442e-32], [-3.2710651140121497e-37, 6.135200292153275, 3.231766730349352e-18], [-1.9732928779235323e-33, 2.5988348712585777e-18, 4.864285727779596]])
forces =  [[-2.71709335e-09 -2.71709335e-09 -1.43123607e-27]
 [ 2.71709335e-09  2.71709335e-09  1.43124731e-27]
 [ 2.71709335e-09 -2.71709335e-09 -1.43124918e-27]
 [-2.71709335e-09  2.71709335e-09  1.43123981e-27]
 [ 2.71709335e-09 -2.71709335e-09 -1.43124731e-27]
 [-2.71709335e-09  2.71709335e-09  1.43123607e-27]
 [-2.71709335e-09 -2.71709335e-09 -1.43123981e-27]
 [ 2.71709335e-09  2.71709335e-09  1.43124918e-27]
 [ 9.45277277e-33 -3.78110911e-32  1.49892377e-32]
 [-6.07967017e-66 -1.89055455e-32  1.49892377e-32]
 [ 1.82410265e-65  1.89055455e-32 -4.49677130e-32]
 [ 1.21603483e-65  1.89055455e-32 -2.99784753e-32]]
stress =  [ 4.11202663e-11  4.11202663e-11  2.13012045e-11 -5.00925400e-27
  3.12540165e-35 -1.43502226e-50]
energy per atom =  -3.4804732548027597
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0