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 14:43:16      -40.003431       22.4121
BFGS:    1 14:43:16      -43.195920       19.6624
BFGS:    2 14:43:16      -45.725417       13.3497
BFGS:    3 14:43:16      -46.910982        1.2487
BFGS:    4 14:43:16      -46.917204        0.4615
BFGS:    5 14:43:16      -46.918145        0.0099
BFGS:    6 14:43:16      -46.918145        0.0001
BFGS:    7 14:43:16      -46.918145        0.0000
BFGS:    8 14:43:16      -46.918145        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6257005172019093e-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, 4.219084964935274e-33, 1.0062878632328912e-32], [6.032482980113755e-33, 2.8341063538376816, 2.171589624532227e-19], [-1.0638201061730574e-32, 2.171589624532337e-19, 2.8341063538376816]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.62570052e-15 -1.62570052e-15 -1.62570052e-15 -5.03907417e-32
  6.13830075e-33  1.97964634e-49]
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