element(s):
['Al', 'Pt']
AFLOW prototype label:
A3B2_hP5_164_ad_d
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2174', '1.2341253', '0.64850451', '0.16876856']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Pt']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.64850451]
 [0.33333333 0.66666667 0.16876856]]
spacegroup =  164
cell =  [[4.2174, 0, 0], [-2.1087, 3.6523755379205, 0], [0, 0, 5.2048]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:39:44      -18.683716         2.920666
BFGS:    1 17:39:44      -19.013920         2.514097
BFGS:    2 17:39:44      -19.351469         2.050220
BFGS:    3 17:39:44      -19.627873         1.612211
BFGS:    4 17:39:44      -19.847290         1.240128
BFGS:    5 17:39:44      -20.015411         0.893894
BFGS:    6 17:39:44      -20.131627         0.543583
BFGS:    7 17:39:44      -20.195219         0.210741
BFGS:    8 17:39:45      -20.211257         0.181472
BFGS:    9 17:39:45      -20.212939         0.168066
BFGS:   10 17:39:45      -20.221907         0.162609
BFGS:   11 17:39:45      -20.227554         0.138373
BFGS:   12 17:39:45      -20.231481         0.136693
BFGS:   13 17:39:45      -20.232965         0.112097
BFGS:   14 17:39:45      -20.233899         0.072371
BFGS:   15 17:39:45      -20.234564         0.032903
BFGS:   16 17:39:45      -20.234775         0.013960
BFGS:   17 17:39:45      -20.234794         0.005551
BFGS:   18 17:39:45      -20.234795         0.004289
BFGS:   19 17:39:45      -20.234796         0.003615
BFGS:   20 17:39:45      -20.234798         0.002671
BFGS:   21 17:39:45      -20.234801         0.002668
BFGS:   22 17:39:45      -20.234804         0.001801
BFGS:   23 17:39:45      -20.234804         0.000545
BFGS:   24 17:39:45      -20.234805         0.000103
BFGS:   25 17:39:45      -20.234805         0.000006
BFGS:   26 17:39:45      -20.234805         0.000000
BFGS:   27 17:39:45      -20.234805         0.000000
BFGS:   28 17:39:45      -20.234805         0.000000
Minimization converged after 28 steps.
Maximum force component: 3.959821082144543e-10 eV/Angstrom
Maximum stress component: 9.468445161349792e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Pt', 'Pt']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.62599716]
 [0.66666667 0.33333333 0.37400284]
 [0.33333333 0.66666667 0.12826673]
 [0.66666667 0.33333333 0.87173327]]
cellpar =  Cell([[4.497568371914743, -3.320091218116394e-17, -9.691107916251882e-37], [-2.2487841859573714, 3.895008465335585, -4.683886763617531e-37], [1.8164228625768167e-36, -1.9560666560137776e-36, 5.633249047894981]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.61973419e-32  1.60032287e-32  3.95982108e-10]
 [ 4.73522754e-32 -4.80096860e-32 -3.95982108e-10]
 [ 1.47831494e-31  1.30795939e-46 -3.79820183e-10]
 [-7.39157470e-32  1.28025829e-31  3.79820183e-10]]
stress =  [-4.21382639e-12 -4.21382639e-12 -9.46844516e-12 -3.74508641e-34
 -3.24333997e-34  6.62139906e-28]
energy per atom =  -4.0469609093402426
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0