element(s):
['Al', 'Pt']
AFLOW prototype label:
AB_cP8_198_a_a
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8848', '0.84342988', '0.1552473']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pt']
representative atom coordinates =  [[0.84342988 0.84342988 0.84342988]
 [0.1552473  0.1552473  0.1552473 ]]
spacegroup =  198
cell =  [[4.8848, 0, 0], [0, 4.8848, 0], [0, 0, 4.8848]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:34:34      -33.062088         2.626661
BFGS:    1 12:34:34      -33.362852         2.404773
BFGS:    2 12:34:34      -33.718830         2.115350
BFGS:    3 12:34:34      -34.026316         1.838960
BFGS:    4 12:34:34      -34.289214         1.572043
BFGS:    5 12:34:34      -34.509818         1.317862
BFGS:    6 12:34:34      -34.690762         1.074352
BFGS:    7 12:34:34      -34.834136         0.838530
BFGS:    8 12:34:34      -34.941445         0.607186
BFGS:    9 12:34:34      -35.014002         0.381011
BFGS:   10 12:34:34      -35.054229         0.170418
BFGS:   11 12:34:34      -35.066320         0.112856
BFGS:   12 12:34:34      -35.067799         0.096621
BFGS:   13 12:34:35      -35.069866         0.060094
BFGS:   14 12:34:35      -35.071419         0.029119
BFGS:   15 12:34:35      -35.071931         0.009654
BFGS:   16 12:34:35      -35.071968         0.001918
BFGS:   17 12:34:35      -35.071970         0.000467
BFGS:   18 12:34:35      -35.071970         0.000372
BFGS:   19 12:34:35      -35.071970         0.000333
BFGS:   20 12:34:35      -35.071970         0.000171
BFGS:   21 12:34:35      -35.071970         0.000042
BFGS:   22 12:34:35      -35.071970         0.000010
BFGS:   23 12:34:35      -35.071970         0.000001
BFGS:   24 12:34:35      -35.071970         0.000000
BFGS:   25 12:34:35      -35.071970         0.000000
Minimization converged after 25 steps.
Maximum force component: 1.721398369396705e-09 eV/Angstrom
Maximum stress component: 8.666827006605919e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.84695499 0.84695499 0.84695499]
 [0.65304501 0.15304501 0.34695499]
 [0.15304501 0.34695499 0.65304501]
 [0.34695499 0.65304501 0.15304501]
 [0.15140712 0.15140712 0.15140712]
 [0.34859288 0.84859288 0.65140712]
 [0.84859288 0.65140712 0.34859288]
 [0.65140712 0.34859288 0.84859288]]
cellpar =  Cell([5.209722848168146, 5.209722848168146, 5.209722848168146])
forces =  [[-2.55096683e-10 -2.55096683e-10 -2.55096683e-10]
 [ 2.55096683e-10  2.55096683e-10 -2.55096683e-10]
 [ 2.55096683e-10 -2.55096683e-10  2.55096683e-10]
 [-2.55096683e-10  2.55096683e-10  2.55096683e-10]
 [-1.72139837e-09 -1.72139837e-09 -1.72139837e-09]
 [ 1.72139837e-09  1.72139837e-09 -1.72139837e-09]
 [ 1.72139837e-09 -1.72139837e-09  1.72139837e-09]
 [-1.72139837e-09  1.72139837e-09  1.72139837e-09]]
stress =  [8.66682701e-12 8.66682701e-12 8.66682701e-12 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -4.383996248333081
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0