element(s):
['Cs']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.1325']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[6.1325, 0, 0], [0, 6.1325, 0], [0, 0, 6.1325]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:47:57       -4.615561        3.3131
BFGS:    1 17:47:57       -5.094711        3.4151
BFGS:    2 17:47:57       -5.605128        3.3580
BFGS:    3 17:47:57       -6.085046        2.9624
BFGS:    4 17:47:57       -6.464936        1.9804
BFGS:    5 17:47:57       -6.632821        0.0474
BFGS:    6 17:47:57       -6.632877        0.0171
BFGS:    7 17:47:57       -6.632885        0.0001
BFGS:    8 17:47:57       -6.632885        0.0000
BFGS:    9 17:47:57       -6.632885        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.123300506438387e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.371355059452116, -1.8783581245006903e-32, -3.695320203125657e-33], [-1.1487536324466442e-32, 5.371355059452116, 5.456044076031986e-17], [6.694419881794249e-33, 5.456044076031985e-17, 5.371355059452117]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.12330051e-14 -2.12330051e-14 -2.12330051e-14 -3.37394458e-31
 -6.02536530e-63 -3.56299495e-63]
energy per atom =  -3.3164425095682692
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0