element(s):
['Al', 'Cu', 'Pt']
AFLOW prototype label:
ABC2_tP4_123_a_c_e
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9869', '0.87576814']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[3.9869, 0, 0], [0, 3.9869, 0], [0, 0, 3.4916]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:55:18      -18.043453         1.471521
BFGS:    1 19:55:18      -18.101618         1.260813
BFGS:    2 19:55:18      -18.196325         0.813286
BFGS:    3 19:55:18      -18.242485         0.462766
BFGS:    4 19:55:18      -18.253920         0.243058
BFGS:    5 19:55:18      -18.256001         0.203315
BFGS:    6 19:55:18      -18.265640         0.318398
BFGS:    7 19:55:18      -18.276451         0.389882
BFGS:    8 19:55:18      -18.288772         0.434506
BFGS:    9 19:55:18      -18.302197         0.459659
BFGS:   10 19:55:18      -18.316301         0.467892
BFGS:   11 19:55:18      -18.330655         0.459435
BFGS:   12 19:55:18      -18.344791         0.433329
BFGS:   13 19:55:18      -18.358095         0.386394
BFGS:   14 19:55:18      -18.369794         0.312984
BFGS:   15 19:55:18      -18.378813         0.201908
BFGS:   16 19:55:18      -18.382673         0.079551
BFGS:   17 19:55:18      -18.383421         0.051949
BFGS:   18 19:55:18      -18.384027         0.000493
BFGS:   19 19:55:18      -18.384027         0.000012
BFGS:   20 19:55:18      -18.384027         0.000000
Minimization converged after 20 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.7085875947794945e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Cu', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [1.07243475e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.8629719033152163, -1.5882255125451326e-34, 1.6720937106810317e-31], [-4.1350102214486444e-35, 3.8629719033152146, 1.5240957172910668e-16], [-1.294966069002344e-32, 1.2238259337119622e-16, 4.073429446695973]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.70858759e-11  4.70858759e-11  2.08384165e-11 -1.80921241e-26
 -1.25331055e-32  5.46308928e-48]
energy per atom =  -4.596006726724386
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0