element(s):
['Br', 'Rb']
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:
['7.0053']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Rb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[7.0053, 0, 0], [0, 7.0053, 0], [0, 0, 7.0053]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:20:39      -22.058367        1.7897
BFGS:    1 14:20:39      -22.186772        1.5552
BFGS:    2 14:20:39      -22.382196        1.0365
BFGS:    3 14:20:39      -22.493273        0.4285
BFGS:    4 14:20:39      -22.513306        0.0485
BFGS:    5 14:20:39      -22.513563        0.0047
BFGS:    6 14:20:39      -22.513567        0.0010
BFGS:    7 14:20:39      -22.513567        0.0001
BFGS:    8 14:20:40      -22.513567        0.0000
BFGS:    9 14:20:40      -22.513567        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.6468412868183737e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br', 'Rb', 'Rb', 'Rb', 'Rb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 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 6.22655369e-51]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[6.868042501330595, -1.8708483582659514e-32, 5.69224324061177e-34], [-1.8213746451993607e-32, 6.868042501330595, -9.390218718683352e-18], [-2.6822098480152225e-34, -9.390218718683354e-18, 6.868042501330595]])
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 =  [-5.64684129e-11 -5.64684129e-11 -5.64684129e-11 -6.02813155e-30
 -2.04147724e-36  2.57087769e-54]
energy per atom =  -2.8141958371310216
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0