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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== 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 14:52:52      -42.792244         0.601861
BFGS:    1 14:52:53      -42.815596         0.575370
BFGS:    2 14:52:53      -42.920071         0.426320
BFGS:    3 14:52:53      -42.976088         0.286425
BFGS:    4 14:52:53      -42.992724         0.179722
BFGS:    5 14:52:53      -42.996982         0.155513
BFGS:    6 14:52:53      -43.015997         0.132526
BFGS:    7 14:52:53      -43.026683         0.074208
BFGS:    8 14:52:53      -43.030106         0.022342
BFGS:    9 14:52:53      -43.030597         0.008354
BFGS:   10 14:52:53      -43.030611         0.007528
BFGS:   11 14:52:53      -43.030613         0.008176
BFGS:   12 14:52:53      -43.030618         0.009192
BFGS:   13 14:52:53      -43.030630         0.010092
BFGS:   14 14:52:53      -43.030654         0.010164
BFGS:   15 14:52:53      -43.030689         0.007862
BFGS:   16 14:52:53      -43.030715         0.003446
BFGS:   17 14:52:53      -43.030723         0.001019
BFGS:   18 14:52:53      -43.030724         0.000111
BFGS:   19 14:52:53      -43.030724         0.000015
BFGS:   20 14:52:53      -43.030724         0.000001
BFGS:   21 14:52:53      -43.030724         0.000000
BFGS:   22 14:52:53      -43.030724         0.000000
Minimization converged after 22 steps.
Maximum force component: 2.3412501813630763e-11 eV/Angstrom
Maximum stress component: 9.637143890061846e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Cu', 'Cu', 'Cu', 'Cu']
basis =  [[1.53950007e-01 6.53950007e-01 2.47577526e-33]
 [8.46049993e-01 3.46049993e-01 0.00000000e+00]
 [3.46049993e-01 1.53950007e-01 0.00000000e+00]
 [6.53950007e-01 8.46049993e-01 0.00000000e+00]
 [8.46049993e-01 6.53950007e-01 5.00000000e-01]
 [1.53950007e-01 3.46049993e-01 5.00000000e-01]
 [6.53950007e-01 1.53950007e-01 5.00000000e-01]
 [3.46049993e-01 8.46049993e-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([[6.162112093972599, 3.5533603933720454e-37, -1.6028738970669165e-31], [1.0717772437032792e-36, 6.162112093972599, 5.3641532084478337e-17], [-7.748231478935918e-33, 4.307506453356348e-17, 4.978623000779179]])
forces =  [[-2.34125018e-11 -2.34125018e-11 -2.03807144e-28]
 [ 2.34125018e-11  2.34125018e-11  2.03807144e-28]
 [ 2.34125018e-11 -2.34125018e-11 -2.03799473e-28]
 [-2.34125018e-11  2.34125018e-11  2.03807144e-28]
 [ 2.34125018e-11 -2.34125018e-11 -2.03807144e-28]
 [-2.34125018e-11  2.34125018e-11  2.03807144e-28]
 [-2.34125018e-11 -2.34125018e-11 -2.03807144e-28]
 [ 2.34125018e-11  2.34125018e-11  2.03807144e-28]
 [ 1.89884739e-32 -3.79769478e-32 -2.45465065e-31]
 [ 4.17598079e-32 -3.79769478e-32 -4.90930131e-31]
 [-3.82017306e-64  2.12376465e-48  2.45465065e-31]
 [-4.74711848e-33  4.51299988e-48  5.21613264e-31]]
stress =  [ 9.63714389e-12  9.63714389e-12 -2.94763794e-12 -2.89975316e-27
  1.79928050e-44  2.76464805e-60]
energy per atom =  -3.585893652923463
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0