element(s):
['Al', 'Au']
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:
['3.2082']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Au']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.2082, 0, 0], [0, 3.2082, 0], [0, 0, 3.2082]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:40:47       -7.022484        0.1747
BFGS:    1 14:40:47       -7.023596        0.1221
BFGS:    2 14:40:47       -7.024653        0.0004
BFGS:    3 14:40:47       -7.024653        0.0000
BFGS:    4 14:40:47       -7.024653        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1750630417593592e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Au']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.194921137169585, -4.054083462094465e-35, 1.2637564134145933e-39], [-2.736799758625246e-35, 3.194921137169585, 1.7347667981056584e-27], [-1.9013340947190353e-37, 1.7347668000674e-27, 3.194921137169585]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.17506304e-11  1.17506304e-11  1.17506304e-11 -2.94510658e-30
 -5.02033008e-64 -5.19476396e-62]
energy per atom =  -3.5123266443429517
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0