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_001
==== 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 15:53:01       -0.182457         0.581553
BFGS:    1 15:53:01       -0.197341         0.612860
BFGS:    2 15:53:01       -0.303634         0.804660
BFGS:    3 15:53:01       -0.438400         0.989850
BFGS:    4 15:53:01       -0.599572         1.154747
BFGS:    5 15:53:01       -0.783137         1.285438
BFGS:    6 15:53:01       -0.982127         1.353518
BFGS:    7 15:53:02       -1.183130         1.298892
BFGS:    8 15:53:02       -1.360585         1.018445
BFGS:    9 15:53:02       -1.469854         0.359785
BFGS:   10 15:53:02       -1.476365         0.233684
BFGS:   11 15:53:02       -1.479664         0.023696
BFGS:   12 15:53:02       -1.479702         0.001351
BFGS:   13 15:53:02       -1.479702         0.000009
BFGS:   14 15:53:02       -1.479702         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.260694864906846e-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, 1.1117505742781226e-32, -3.631787160717966e-33], [1.4727873106286238e-32, 4.826537825598169, 3.319530354993314e-17], [3.392342554599152e-33, 3.3195303549933143e-17, 4.8265378255981695]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.26069486e-11  4.26069486e-11  4.26069486e-11 -9.34530363e-29
 -5.51160136e-36 -4.33041704e-53]
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