element(s):
['Al', 'Pt']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0702']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0702, 0, 0], [0, 3.0702, 0], [0, 0, 3.0702]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:23:11      -40.003431        22.412075
BFGS:    1 11:23:11      -43.195920        19.662386
BFGS:    2 11:23:11      -45.725417        13.349701
BFGS:    3 11:23:11      -46.910982         1.248747
BFGS:    4 11:23:11      -46.917204         0.461536
BFGS:    5 11:23:11      -46.918145         0.009948
BFGS:    6 11:23:11      -46.918145         0.000077
BFGS:    7 11:23:11      -46.918145         0.000000
BFGS:    8 11:23:11      -46.918145         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6257005172019087e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8341063538376816, 6.57487580015676e-33, 8.36715540867873e-33], [5.7606609506639885e-33, 2.8341063538376816, 2.171589632698074e-19], [-1.3613463445457087e-32, 2.1715896326981795e-19, 2.8341063538376816]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.62570052e-15 -1.62570052e-15 -1.62570052e-15  3.27346623e-31
  6.13830075e-33 -1.26924932e-48]
energy per atom =  -23.459072576569575
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0