element(s):
['Br', 'Cs']
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:
['4.3829']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Cs']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[4.3829, 0, 0], [0, 4.3829, 0], [0, 0, 4.3829]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:46:17       -5.514258        3.1167
BFGS:    1 14:46:17       -5.881846        2.2919
BFGS:    2 14:46:17       -6.105284        0.4914
BFGS:    3 14:46:17       -6.110840        0.2405
BFGS:    4 14:46:17       -6.112350        0.0136
BFGS:    5 14:46:17       -6.112355        0.0004
BFGS:    6 14:46:17       -6.112355        0.0000
BFGS:    7 14:46:17       -6.112355        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.436823710070759e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Cs']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[4.155131562290211, -9.350351308494324e-34, -1.6736132286277234e-33], [3.9494933224523806e-33, 4.155131562290211, -4.726028333555073e-18], [-2.9896279528151773e-33, -4.72602833355508e-18, 4.155131562290211]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.43682371e-13  5.43682371e-13  5.43682371e-13  9.43855648e-29
 -1.48733797e-35 -4.22499667e-51]
energy per atom =  -3.056177319632809
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0