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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== 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 14:48:03       -5.916339        0.7657
BFGS:    1 14:48:03       -5.937839        0.5479
BFGS:    2 14:48:03       -5.958974        0.0533
BFGS:    3 14:48:03       -5.959152        0.0044
BFGS:    4 14:48:03       -5.959154        0.0000
BFGS:    5 14:48:03       -5.959154        0.0000
BFGS:    6 14:48:03       -5.959154        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.451574933819543e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Na']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.4268257901610606, 2.921629432527014e-32, -8.389191267617641e-33], [1.9951734983733863e-32, 3.4268257901610606, -1.6972890191231169e-19], [3.882536747606234e-33, -1.697289019123194e-19, 3.4268257901610606]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.45157493e-15  4.45157493e-15  4.45157493e-15 -1.71240718e-31
 -8.74692011e-34  1.23949029e-50]
energy per atom =  -2.979576849653643
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0