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 14:46:29      -15.254039        2.5611
BFGS:    1 14:46:29      -15.375830        0.5484
BFGS:    2 14:46:29      -15.380164        0.0932
BFGS:    3 14:46:29      -15.380299        0.0027
BFGS:    4 14:46:29      -15.380299        0.0000
BFGS:    5 14:46:29      -15.380299        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.537048554339977e-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, 4.801037112409095e-33, -5.34423819070934e-34], [8.325006507320913e-33, 3.635868470817523, 2.0863239219656848e-19], [7.033997884867104e-33, 2.0863239219655958e-19, 3.635868470817523]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [8.53704855e-11 8.53704855e-11 8.53704855e-11 2.02689483e-26
 1.55400668e-34 3.92459375e-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