element(s):
['Al']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.233']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.233, 0, 0], [0, 3.233, 0], [0, 0, 3.233]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:54:01      -22.486322       18.6505
BFGS:    1 13:54:01      -25.430811       20.5907
BFGS:    2 13:54:01      -28.651784       22.2908
BFGS:    3 13:54:01      -32.091813       23.4178
BFGS:    4 13:54:01      -35.615601       23.4075
BFGS:    5 13:54:01      -38.989270       21.0582
BFGS:    6 13:54:01      -41.722956       14.4963
BFGS:    7 13:54:01      -42.991530        0.8419
BFGS:    8 13:54:01      -42.993887        0.3399
BFGS:    9 13:54:01      -42.994332        0.0048
BFGS:   10 13:54:01      -42.994332        0.0000
BFGS:   11 13:54:01      -42.994332        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.820756589868295e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6636551209955983, -2.4265323686807245e-33, -1.5057980123392115e-32], [-3.1949195545137677e-32, 2.6636551209955983, -7.136161839117332e-18], [6.3988262765556e-34, -7.136161839117343e-18, 2.663655120995598]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.82075659e-10 -1.82075659e-10 -1.82075659e-10  8.16973764e-26
  1.15817241e-33 -5.41886980e-49]
energy per atom =  -21.49716579940533
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0