element(s):
['Br', 'Na']
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:
['6']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Na']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6, 0, 0], [0, 6, 0], [0, 0, 6]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:20:39      -24.014479        0.2248
BFGS:    1 14:20:39      -24.016576        0.2106
BFGS:    2 14:20:39      -24.031306        0.0214
BFGS:    3 14:20:39      -24.031811        0.0271
BFGS:    4 14:20:39      -24.029134        0.0953
BFGS:    5 14:20:39      -24.032023        0.0008
BFGS:    6 14:20:39      -24.032023        0.0000
BFGS:    7 14:20:39      -24.032023        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.192237217410607e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br', 'Na', 'Na', 'Na', 'Na']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.39053221e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.58790977e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.04483912e-66 0.00000000e+00]
 [1.75363587e-54 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 2.58790977e-34 5.00000000e-01]]
cellpar =  Cell([[5.953623161779764, 1.5371014309917195e-37, 2.2588995498596297e-32], [1.500655514356037e-37, 5.953623161779764, 2.7063341598943847e-17], [-5.509604078511224e-32, 2.7063341598943918e-17, 5.953623161779764]])
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 =  [-5.19223722e-11 -5.19223722e-11 -5.19223722e-11  2.76096219e-32
 -3.98454951e-35  4.42379938e-51]
energy per atom =  -3.004002921864507
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0