element(s):
['Al', 'Pt']
AFLOW prototype label:
AB3_tP16_127_f_egh
Parameter names:
['a', 'c/a', 'z1', 'z2', 'x3', 'x4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4728', '1.4433928', '0.25312095', '0.23998573', '0.22569591', '0.30865809']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pt', 'Pt', 'Pt']
representative atom coordinates =  [[0.         0.5        0.23998573]
 [0.         0.         0.25312095]
 [0.22569591 0.72569591 0.        ]
 [0.30865809 0.80865809 0.5       ]]
spacegroup =  127
cell =  [[5.4728, 0, 0], [0, 5.4728, 0], [0, 0, 7.8994]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:38:43      -80.071357         2.156238
BFGS:    1 12:38:44      -80.389697         1.973557
BFGS:    2 12:38:44      -80.846998         1.699376
BFGS:    3 12:38:44      -81.243125         1.447563
BFGS:    4 12:38:44      -81.586366         1.214263
BFGS:    5 12:38:44      -81.882033         0.996513
BFGS:    6 12:38:44      -82.133661         0.792206
BFGS:    7 12:38:44      -82.343565         0.599976
BFGS:    8 12:38:44      -82.513139         0.481730
BFGS:    9 12:38:44      -82.642994         0.376233
BFGS:   10 12:38:44      -82.733067         0.284830
BFGS:   11 12:38:45      -82.782672         0.216923
BFGS:   12 12:38:45      -82.794770         0.191370
BFGS:   13 12:38:45      -82.802143         0.178840
BFGS:   14 12:38:45      -82.821501         0.165451
BFGS:   15 12:38:45      -82.831474         0.129494
BFGS:   16 12:38:45      -82.834769         0.089909
BFGS:   17 12:38:45      -82.835502         0.078804
BFGS:   18 12:38:45      -82.836736         0.066319
BFGS:   19 12:38:45      -82.837787         0.063056
BFGS:   20 12:38:45      -82.838494         0.067836
BFGS:   21 12:38:45      -82.838865         0.073058
BFGS:   22 12:38:45      -82.839266         0.076698
BFGS:   23 12:38:45      -82.840283         0.076971
BFGS:   24 12:38:45      -82.842126         0.065794
BFGS:   25 12:38:46      -82.844533         0.069324
BFGS:   26 12:38:46      -82.846454         0.060181
BFGS:   27 12:38:46      -82.847289         0.060264
BFGS:   28 12:38:46      -82.847921         0.065671
BFGS:   29 12:38:46      -82.848953         0.065033
BFGS:   30 12:38:46      -82.850462         0.052689
BFGS:   31 12:38:46      -82.851855         0.029375
BFGS:   32 12:38:46      -82.852438         0.011445
BFGS:   33 12:38:46      -82.852515         0.008396
BFGS:   34 12:38:46      -82.852528         0.007807
BFGS:   35 12:38:46      -82.852549         0.006133
BFGS:   36 12:38:46      -82.852576         0.004344
BFGS:   37 12:38:46      -82.852595         0.002566
BFGS:   38 12:38:46      -82.852600         0.000780
BFGS:   39 12:38:46      -82.852601         0.000113
BFGS:   40 12:38:47      -82.852601         0.000008
BFGS:   41 12:38:47      -82.852601         0.000000
BFGS:   42 12:38:47      -82.852601         0.000000
BFGS:   43 12:38:47      -82.852601         0.000000
Minimization converged after 43 steps.
Maximum force component: 4.538919805979756e-09 eV/Angstrom
Maximum stress component: 2.0971159370509193e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [5.00000000e-01 1.36038035e-33 7.50000000e-01]
 [7.06222307e-34 5.00000000e-01 7.50000000e-01]
 [4.84563388e-33 3.80906498e-33 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 7.50000000e-01]
 [5.00000000e-01 5.00000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 0.00000000e+00]
 [7.50000000e-01 2.50000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 9.61934169e-35]
 [7.50000000e-01 7.50000000e-01 0.00000000e+00]
 [2.50000000e-01 7.50000000e-01 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 5.00000000e-01]
 [7.50000000e-01 7.50000000e-01 5.00000000e-01]]
cellpar =  Cell([[5.6629160997910635, 9.377089927956377e-37, 3.035044086661988e-33], [1.574845104060168e-36, 5.662916099791065, -1.0458188844210357e-17], [9.071104283065134e-33, -1.4880536647711433e-17, 8.008572756266659]])
forces =  [[-5.14111767e-42  8.43358805e-27 -4.53891981e-09]
 [-6.98008300e-32  8.43365785e-27 -4.53891981e-09]
 [ 5.14111767e-42 -8.43351825e-27  4.53891981e-09]
 [ 5.14111767e-42 -8.43367530e-27  4.53891981e-09]
 [-3.14103735e-31 -3.45638736e-28  1.86038483e-10]
 [-1.74502075e-31  3.45673636e-28 -1.86038483e-10]
 [-1.39601660e-31  3.45673636e-28 -1.86038483e-10]
 [ 2.09402490e-31 -3.45673636e-28  1.86038483e-10]
 [-4.33999963e-10 -4.33999963e-10  8.01603361e-28]
 [ 4.33999963e-10  4.33999963e-10 -8.01899501e-28]
 [ 4.33999963e-10 -4.33999963e-10  8.01800787e-28]
 [-4.33999963e-10  4.33999963e-10 -8.01603361e-28]
 [-3.36658202e-11 -3.36658202e-11  6.21241771e-29]
 [ 3.36658202e-11  3.36658202e-11 -6.21735337e-29]
 [ 3.36658202e-11 -3.36658202e-11  6.21858729e-29]
 [-3.36658202e-11  3.36658202e-11 -6.19761072e-29]]
stress =  [ 4.36234065e-11  4.36234065e-11  2.09711594e-10 -1.09842504e-25
  2.17427861e-33 -1.12413396e-48]
energy per atom =  -5.178287536072274
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB3_tP16_127_f_egh, while relaxed is AB3_cP4_221_a_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.