element(s):
['Al', 'Sm']
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:
['3.6933']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Sm']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.6933, 0, 0], [0, 3.6933, 0], [0, 0, 3.6933]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:20:45      -15.254039         2.561135
BFGS:    1 12:20:45      -15.375830         0.548359
BFGS:    2 12:20:46      -15.380164         0.093167
BFGS:    3 12:20:46      -15.380299         0.002711
BFGS:    4 12:20:46      -15.380299         0.000014
BFGS:    5 12:20:46      -15.380299         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.537048554339984e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Sm']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.635868470817523, 7.908530857013828e-33, -1.131893020679493e-33], [1.3551409278966764e-32, 3.635868470817523, 2.0867588556165366e-19], [1.407446098867944e-32, 2.08675885561639e-19, 3.635868470817523]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [8.53704855e-11 8.53704855e-11 8.53704855e-11 1.82022510e-26
 1.55400668e-34 3.50437708e-50]
energy per atom =  -7.690149632716663
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0