element(s):
['Cl', '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:
['3.9974']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.9974, 0, 0], [0, 3.9974, 0], [0, 0, 3.9974]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:48:03       -5.618807        1.9692
BFGS:    1 14:48:03       -5.749245        1.0645
BFGS:    2 14:48:03       -5.781914        0.5115
BFGS:    3 14:48:03       -5.788830        0.0702
BFGS:    4 14:48:03       -5.788974        0.0038
BFGS:    5 14:48:03       -5.788974        0.0000
BFGS:    6 14:48:03       -5.788974        0.0000
BFGS:    7 14:48:03       -5.788974        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.368086484106813e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Rb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.8937464942417717, -1.2742770465777423e-32, -5.509176912501099e-33], [-1.6674061880177887e-32, 3.8937464942417717, -4.676118809069576e-18], [-5.5609122588430265e-33, -4.676118809069571e-18, 3.8937464942417717]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [1.36808648e-15 1.36808648e-15 1.36808648e-15 1.10365483e-31
 1.35498305e-34 4.78809397e-51]
energy per atom =  -2.8944872425363943
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0