element(s):
['I', 'Rb']
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:
['4.4866']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['I', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.4866, 0, 0], [0, 4.4866, 0], [0, 0, 4.4866]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:31:28       -4.138263         1.996628
BFGS:    1 11:31:28       -4.285129         1.384492
BFGS:    2 11:31:28       -4.358590         0.651796
BFGS:    3 11:31:29       -4.369522         0.166272
BFGS:    4 11:31:29       -4.370409         0.014404
BFGS:    5 11:31:29       -4.370416         0.000365
BFGS:    6 11:31:29       -4.370416         0.000001
BFGS:    7 11:31:29       -4.370416         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.764995387451722e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.338379381321436, 1.0267819663451859e-32, 9.828847248635637e-33], [9.473693236695045e-33, 4.338379381321436, 6.70906276618943e-22], [-1.3225805156695683e-33, 6.709062766176468e-22, 4.338379381321436]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.76499539e-13  9.76499539e-13  9.76499539e-13  4.31641692e-29
  1.09147591e-33 -5.79811825e-50]
energy per atom =  -2.1852078982618965
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0