element(s):
['Cl', 'Cs']
AFLOW prototype label:
AB_cP2_221_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:
['4.2029']
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 =  221
cell =  [[4.2029, 0, 0], [0, 4.2029, 0], [0, 0, 4.2029]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:05:19       -6.079848         2.928530
BFGS:    1 17:05:20       -6.407961         2.234564
BFGS:    2 17:05:20       -6.633905         0.599199
BFGS:    3 17:05:21       -6.642788         0.308768
BFGS:    4 17:05:22       -6.645428         0.022282
BFGS:    5 17:05:22       -6.645442         0.000748
BFGS:    6 17:05:23       -6.645442         0.000002
BFGS:    7 17:05:23       -6.645442         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.8778636342146285e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Cs']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.983592619339542, -6.764310443539465e-33, 7.859988974532762e-33], [-4.0309262865797664e-33, 3.983592619339542, -6.621010107854001e-19], [3.324112508390507e-33, -6.621010107854064e-19, 3.983592619339542]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.87786363e-12  4.87786363e-12  4.87786363e-12  8.17826854e-28
 -2.58910323e-34 -4.52530777e-50]
energy per atom =  -3.3227211841225035
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0