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 09:17:36      -80.071357        2.1562
BFGS:    1 09:17:36      -80.389697        1.9736
BFGS:    2 09:17:36      -80.846998        1.6994
BFGS:    3 09:17:36      -81.243125        1.4476
BFGS:    4 09:17:36      -81.586366        1.2143
BFGS:    5 09:17:36      -81.882033        0.9965
BFGS:    6 09:17:36      -82.133661        0.7922
BFGS:    7 09:17:36      -82.343565        0.6000
BFGS:    8 09:17:36      -82.513139        0.4817
BFGS:    9 09:17:36      -82.642994        0.3762
BFGS:   10 09:17:36      -82.733067        0.2848
BFGS:   11 09:17:36      -82.782672        0.2169
BFGS:   12 09:17:36      -82.794770        0.1914
BFGS:   13 09:17:36      -82.802143        0.1788
BFGS:   14 09:17:36      -82.821501        0.1655
BFGS:   15 09:17:36      -82.831474        0.1295
BFGS:   16 09:17:36      -82.834769        0.0899
BFGS:   17 09:17:36      -82.835502        0.0788
BFGS:   18 09:17:36      -82.836736        0.0663
BFGS:   19 09:17:36      -82.837787        0.0631
BFGS:   20 09:17:36      -82.838494        0.0678
BFGS:   21 09:17:36      -82.838865        0.0731
BFGS:   22 09:17:36      -82.839266        0.0767
BFGS:   23 09:17:36      -82.840283        0.0770
BFGS:   24 09:17:36      -82.842126        0.0658
BFGS:   25 09:17:36      -82.844533        0.0693
BFGS:   26 09:17:36      -82.846454        0.0602
BFGS:   27 09:17:36      -82.847289        0.0603
BFGS:   28 09:17:36      -82.847921        0.0657
BFGS:   29 09:17:36      -82.848953        0.0650
BFGS:   30 09:17:36      -82.850462        0.0527
BFGS:   31 09:17:36      -82.851855        0.0294
BFGS:   32 09:17:36      -82.852438        0.0114
BFGS:   33 09:17:36      -82.852515        0.0084
BFGS:   34 09:17:36      -82.852528        0.0078
BFGS:   35 09:17:36      -82.852549        0.0061
BFGS:   36 09:17:36      -82.852576        0.0043
BFGS:   37 09:17:36      -82.852595        0.0026
BFGS:   38 09:17:36      -82.852600        0.0008
BFGS:   39 09:17:36      -82.852601        0.0001
BFGS:   40 09:17:36      -82.852601        0.0000
BFGS:   41 09:17:36      -82.852601        0.0000
BFGS:   42 09:17:36      -82.852601        0.0000
BFGS:   43 09:17:36      -82.852601        0.0000
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.