element(s):
['Cs', 'F']
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:
['3.6971']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs', 'F']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.6971, 0, 0], [0, 3.6971, 0], [0, 0, 3.6971]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:16:15       11.250940       50.3444
BFGS:    1 15:16:15        5.062246       33.2606
BFGS:    2 15:16:15        1.000614       21.6279
BFGS:    3 15:16:15       -1.611078       13.6970
BFGS:    4 15:16:15       -3.235141        8.3050
BFGS:    5 15:16:15       -4.190177        4.6723
BFGS:    6 15:16:15       -4.694224        2.2151
BFGS:    7 15:16:15       -4.885561        0.7091
BFGS:    8 15:16:15       -4.913255        0.1768
BFGS:    9 15:16:15       -4.915323        0.0203
BFGS:   10 15:16:15       -4.915352        0.0007
BFGS:   11 15:16:15       -4.915352        0.0000
BFGS:   12 15:16:15       -4.915352        0.0000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.210458887458329e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'F']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.389001555282898, 2.3677281106117192e-32, 6.923486919372835e-33], [1.4435694409890355e-32, 4.389001555282898, 2.0998958218151576e-17], [-2.9203383278581567e-32, 2.0998958218151606e-17, 4.389001555282898]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.21045889e-11 -1.21045889e-11 -1.21045889e-11 -5.80406960e-27
 -1.06644323e-34 -1.64685640e-50]
energy per atom =  -2.4576761725507548
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0