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:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== 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 17:49:03       -0.182457        0.5816
BFGS:    1 17:49:03       -0.197341        0.6129
BFGS:    2 17:49:04       -0.303634        0.8047
BFGS:    3 17:49:04       -0.438400        0.9898
BFGS:    4 17:49:04       -0.599572        1.1547
BFGS:    5 17:49:04       -0.783137        1.2854
BFGS:    6 17:49:04       -0.982127        1.3535
BFGS:    7 17:49:04       -1.183130        1.2989
BFGS:    8 17:49:04       -1.360585        1.0184
BFGS:    9 17:49:04       -1.469854        0.3598
BFGS:   10 17:49:04       -1.476365        0.2337
BFGS:   11 17:49:04       -1.479664        0.0237
BFGS:   12 17:49:04       -1.479702        0.0014
BFGS:   13 17:49:04       -1.479702        0.0000
BFGS:   14 17:49:04       -1.479702        0.0000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.260694634508241e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'Cs']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.826537825598169, 3.5796480145507e-32, -4.177147984491206e-34], [3.2851666737076504e-32, 4.826537825598169, 4.0190413804881693e-17], [8.173208162505749e-33, 4.019041380488167e-17, 4.8265378255981695]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [4.26069463e-11 4.26069463e-11 4.26069463e-11 1.22491218e-27
 5.51160136e-36 1.96285029e-52]
energy per atom =  -0.7398509396495521
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0