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 14:48:15      -16.177153       11.7485
BFGS:    1 14:48:15      -17.977656       12.1822
BFGS:    2 14:48:15      -19.799100       11.9598
BFGS:    3 14:48:15      -21.511059       10.7334
BFGS:    4 14:48:15      -22.902038        7.3976
BFGS:    5 14:48:15      -23.561828        0.6874
BFGS:    6 14:48:15      -23.565129        0.2676
BFGS:    7 14:48:15      -23.565691        0.0060
BFGS:    8 14:48:15      -23.565691        0.0001
BFGS:    9 14:48:15      -23.565691        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.882065863477914e-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, -1.642312413569265e-32, 9.889327518451801e-33], [-1.343395234023053e-32, 3.047261085931985, 1.2480332100174127e-17], [-4.10120488577883e-34, 1.248033210017413e-17, 3.047261085931985]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.88206586e-10 -5.88206586e-10 -5.88206586e-10 -1.36272766e-25
 -6.63698953e-34 -4.15323748e-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