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 16:53:18       -4.615561         3.313147
BFGS:    1 16:53:18       -5.094711         3.415092
BFGS:    2 16:53:18       -5.605128         3.358045
BFGS:    3 16:53:18       -6.085046         2.962428
BFGS:    4 16:53:18       -6.464936         1.980395
BFGS:    5 16:53:19       -6.632821         0.047370
BFGS:    6 16:53:19       -6.632877         0.017067
BFGS:    7 16:53:19       -6.632885         0.000092
BFGS:    8 16:53:19       -6.632885         0.000000
BFGS:    9 16:53:19       -6.632885         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1019104853458022e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[5.371355059452117, -1.484424502487181e-32, -7.550253045490817e-33], [-1.17159260460502e-32, 5.371355059452117, 6.753184972794753e-17], [2.489441444069879e-32, 6.753184972794751e-17, 5.371355059452118]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.10191049e-14 -2.10191049e-14 -2.10191049e-14 -5.96245022e-30
 -1.78008809e-35 -4.46574564e-51]
energy per atom =  -3.3164425095682684
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0