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:
MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_002
==== 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 11:35:10      -43.270349         0.665665
BFGS:    1 11:35:10      -43.293712         0.552658
BFGS:    2 11:35:10      -43.348804         0.163761
BFGS:    3 11:35:10      -43.350277         0.127130
BFGS:    4 11:35:10      -43.352306         0.016452
BFGS:    5 11:35:10      -43.352334         0.014920
BFGS:    6 11:35:10      -43.352350         0.012066
BFGS:    7 11:35:10      -43.352370         0.006043
BFGS:    8 11:35:10      -43.352380         0.003107
BFGS:    9 11:35:10      -43.352382         0.000743
BFGS:   10 11:35:10      -43.352382         0.000075
BFGS:   11 11:35:10      -43.352382         0.000005
BFGS:   12 11:35:10      -43.352382         0.000000
BFGS:   13 11:35:10      -43.352382         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.7805630118476285e-09 eV/Angstrom
Maximum stress component: 3.920579428756845e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.85050484 0.85050484 0.85050484]
 [0.64949516 0.14949516 0.35050484]
 [0.14949516 0.35050484 0.64949516]
 [0.35050484 0.64949516 0.14949516]
 [0.15388893 0.15388893 0.15388893]
 [0.34611107 0.84611107 0.65388893]
 [0.84611107 0.65388893 0.34611107]
 [0.65388893 0.34611107 0.84611107]]
cellpar =  Cell([4.877252950196773, 4.877252950196773, 4.877252950196773])
forces =  [[-1.78056301e-09 -1.78056301e-09 -1.78056301e-09]
 [ 1.78056301e-09  1.78056301e-09 -1.78056301e-09]
 [ 1.78056301e-09 -1.78056301e-09  1.78056301e-09]
 [-1.78056301e-09  1.78056301e-09  1.78056301e-09]
 [-8.10616740e-10 -8.10616740e-10 -8.10616740e-10]
 [ 8.10616740e-10  8.10616740e-10 -8.10616740e-10]
 [ 8.10616740e-10 -8.10616740e-10  8.10616740e-10]
 [-8.10616740e-10  8.10616740e-10  8.10616740e-10]]
stress =  [3.92057943e-11 3.92057943e-11 3.92057943e-11 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -5.419047761248294
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0