element(s):
['Cl', 'Na']
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:
['3.49']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'Na']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.49, 0, 0], [0, 3.49, 0], [0, 0, 3.49]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:23:11      -16.177153        11.748484
BFGS:    1 11:23:11      -17.977656        12.182163
BFGS:    2 11:23:11      -19.799100        11.959791
BFGS:    3 11:23:11      -21.511059        10.733449
BFGS:    4 11:23:11      -22.902038         7.397590
BFGS:    5 11:23:11      -23.561828         0.687426
BFGS:    6 11:23:11      -23.565129         0.267601
BFGS:    7 11:23:11      -23.565691         0.005968
BFGS:    8 11:23:11      -23.565691         0.000050
BFGS:    9 11:23:11      -23.565691         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.882063875536577e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Na']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.047261085931985, -5.772801640994162e-35, -6.695684617145187e-33], [-1.051335227376323e-32, 3.047261085931985, 4.38803203168026e-17], [4.291342688042281e-33, 4.388032031680261e-17, 3.0472610859319844]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.88206388e-10 -5.88206388e-10 -5.88206388e-10 -3.67099878e-26
  4.42465969e-34  3.53864392e-50]
energy per atom =  -11.782845411078325
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0