element(s):
['Cl', 'Cs']
AFLOW prototype label:
AB_cF8_225_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:
['7.0727']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'Cs']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[7.0727, 0, 0], [0, 7.0727, 0], [0, 0, 7.0727]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:37:05      -21.801775         2.414577
BFGS:    1 15:37:05      -22.042858         2.242071
BFGS:    2 15:37:05      -22.358561         1.960874
BFGS:    3 15:37:05      -22.629080         1.638854
BFGS:    4 15:37:05      -22.847930         1.271073
BFGS:    5 15:37:05      -23.009666         0.869403
BFGS:    6 15:37:05      -23.105430         0.397449
BFGS:    7 15:37:05      -23.127936         0.048982
BFGS:    8 15:37:05      -23.128259         0.002336
BFGS:    9 15:37:05      -23.128260         0.000013
BFGS:   10 15:37:05      -23.128260         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.38634369505693e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Cl', 'Cl', 'Cl', 'Cs', 'Cs', 'Cs', 'Cs']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.04810687e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.26985432e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [4.03207124e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[6.787853927256067, 6.444019979303296e-33, 1.338581756355306e-32], [1.6222431011637165e-32, 6.787853927256067, 1.97612391217628e-17], [2.9102858969169785e-33, 1.9761239121762813e-17, 6.787853927256067]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.38634370e-11 -8.38634370e-11 -8.38634370e-11  1.48451161e-26
  2.78666171e-36 -6.42436703e-52]
energy per atom =  -2.8910324544212163
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0