element(s):
['Cs', 'F']
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:
['3.6971']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cs', 'F']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.6971, 0, 0], [0, 3.6971, 0], [0, 0, 3.6971]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:16:02       -6.431257        2.1059
BFGS:    1 15:16:02       -6.570693        0.9078
BFGS:    2 15:16:03       -6.591879        0.3420
BFGS:    3 15:16:03       -6.594746        0.0318
BFGS:    4 15:16:03       -6.594772        0.0008
BFGS:    5 15:16:03       -6.594772        0.0000
BFGS:    6 15:16:03       -6.594772        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.967717680331056e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cs', 'F']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.6098757425233092, -1.5980612717056637e-32, 5.348369436335e-33], [6.804810892082507e-33, 3.6098757425233092, 2.380418807013391e-18], [-5.3832035044198964e-33, 2.380418807013393e-18, 3.6098757425233092]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.96771768e-12  7.96771768e-12  7.96771768e-12  5.73712553e-30
 -3.15293269e-34 -9.47472981e-52]
energy per atom =  -3.297386010971445
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0