element(s):
['Br']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7191']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.7191, 0, 0], [0, 4.7191, 0], [0, 0, 4.7191]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:12:41       27.999944        23.437261
BFGS:    1 15:12:41       24.647697        21.298582
BFGS:    2 15:12:41       21.599346        19.380356
BFGS:    3 15:12:42       18.821365        17.674053
BFGS:    4 15:12:42       16.290306        16.099258
BFGS:    5 15:12:42       13.984493        14.666483
BFGS:    6 15:12:42       11.884436        13.352354
BFGS:    7 15:12:42        9.973794        12.138241
BFGS:    8 15:12:42        8.238666        11.010226
BFGS:    9 15:12:42        6.666910         9.958653
BFGS:   10 15:12:42        5.247559         8.977391
BFGS:   11 15:12:42        3.970355         8.062926
BFGS:   12 15:12:42        2.825434         7.213428
BFGS:   13 15:12:42        1.803128         6.427917
BFGS:   14 15:12:42        0.893900         5.705567
BFGS:   15 15:12:43        0.088356         5.044889
BFGS:   16 15:12:43       -0.628855         4.478092
BFGS:   17 15:12:43       -1.257945         3.920272
BFGS:   18 15:12:43       -1.807941         3.422545
BFGS:   19 15:12:43       -2.287427         2.979183
BFGS:   20 15:12:43       -2.704132         2.584545
BFGS:   21 15:12:43       -3.064953         2.233161
BFGS:   22 15:12:43       -3.375982         1.919828
BFGS:   23 15:12:43       -3.642560         1.639693
BFGS:   24 15:12:43       -3.869328         1.388328
BFGS:   25 15:12:43       -4.060299         1.161778
BFGS:   26 15:12:43       -4.218929         0.956584
BFGS:   27 15:12:44       -4.348193         0.769784
BFGS:   28 15:12:44       -4.450658         0.598883
BFGS:   29 15:12:44       -4.528549         0.441811
BFGS:   30 15:12:44       -4.583807         0.296866
BFGS:   31 15:12:44       -4.618145         0.162654
BFGS:   32 15:12:44       -4.633082         0.038027
BFGS:   33 15:12:44       -4.633990         0.001759
BFGS:   34 15:12:44       -4.633992         0.000020
BFGS:   35 15:12:44       -4.633992         0.000000
BFGS:   36 15:12:44       -4.633992         0.000000
Minimization converged after 36 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3303526158493176e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Br', 'Br']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[6.6256219767167455, 5.641214903267677e-32, 1.1773516393680686e-32], [5.24419482126218e-32, 6.6256219767167455, -2.708874986219796e-17], [-1.1917897751728862e-32, -2.708874986219793e-17, 6.6256219767167455]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.33035262e-15 -1.33035262e-15 -1.33035262e-15 -7.11516948e-34
  5.84959657e-36 -2.04559370e-53]
energy per atom =  -1.1584979756231404
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0