element(s):
['Cl', 'Rb']
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:
['3.9974']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.9974, 0, 0], [0, 3.9974, 0], [0, 0, 3.9974]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:23:11      -14.039650         4.813871
BFGS:    1 11:23:11      -14.574710         2.041346
BFGS:    2 11:23:11      -14.633715         1.231871
BFGS:    3 11:23:11      -14.654705         0.186463
BFGS:    4 11:23:11      -14.655248         0.011943
BFGS:    5 11:23:11      -14.655250         0.000127
BFGS:    6 11:23:11      -14.655250         0.000000
BFGS:    7 11:23:11      -14.655250         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0451423161477625e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.8476898231321557, -1.7031395748483545e-32, 1.2043931315141698e-32], [-2.86671139946189e-32, 3.8476898231321557, 3.3671117424740135e-18], [-5.572632702164974e-33, 3.367111742474029e-18, 3.8476898231321557]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.04514232e-14  2.04514232e-14  2.04514232e-14 -5.19771333e-31
 -1.38761536e-34 -2.83511875e-51]
energy per atom =  -7.327625205633086
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0