element(s):
['Br', 'Cs', 'F']
AFLOW prototype label:
A2BC_tP4_123_g_c_a
Parameter names:
['a', 'c/a', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3904', '1.6790497', '0.33752969']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Br', 'Cs', 'F']
representative atom coordinates =  [[0.         0.         0.33752969]
 [0.5        0.5        0.        ]
 [0.         0.         0.        ]]
spacegroup =  123
cell =  [[4.3904, 0, 0], [0, 4.3904, 0], [0, 0, 7.3717]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:01:24      -15.377302         4.957046
BFGS:    1 16:01:24      -15.804723         5.399487
BFGS:    2 16:01:24      -16.213941         5.715635
BFGS:    3 16:01:24      -16.616534         5.986482
BFGS:    4 16:01:24      -17.014512         6.228792
BFGS:    5 16:01:24      -17.408297         6.451154
BFGS:    6 16:01:24      -17.797338         6.639180
BFGS:    7 16:01:24      -18.180470         6.803474
BFGS:    8 16:01:24      -18.555105         6.904117
BFGS:    9 16:01:24      -18.917657         6.947953
BFGS:   10 16:01:24      -19.262516         6.861948
BFGS:   11 16:01:24      -19.579851         6.605237
BFGS:   12 16:01:24      -19.855547         6.083385
BFGS:   13 16:01:24      -20.071063         5.172298
BFGS:   14 16:01:24      -20.214959         4.571463
BFGS:   15 16:01:24      -20.336891         4.750690
BFGS:   16 16:01:24      -20.578638         4.456257
BFGS:   17 16:01:24      -20.921570         3.703333
BFGS:   18 16:01:24      -21.219159         3.174716
BFGS:   19 16:01:24      -21.318564         1.189411
BFGS:   20 16:01:25      -21.363305         0.472179
BFGS:   21 16:01:25      -21.375624         0.296026
BFGS:   22 16:01:25      -21.377442         0.094643
BFGS:   23 16:01:25      -21.377524         0.012821
BFGS:   24 16:01:25      -21.377527         0.001008
BFGS:   25 16:01:25      -21.377527         0.000016
BFGS:   26 16:01:25      -21.377527         0.000002
BFGS:   27 16:01:25      -21.377527         0.000000
BFGS:   28 16:01:25      -21.377527         0.000000
BFGS:   29 16:01:25      -21.377527         0.000000
Minimization converged after 29 steps.
Maximum force component: 2.5695973830176295e-09 eV/Angstrom
Maximum stress component: 5.994423864342473e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Br', 'Br', 'Cs', 'F']
basis =  [[3.24965322e-34 1.39648299e-33 2.99529072e-01]
 [9.57559084e-35 0.00000000e+00 7.00470928e-01]
 [5.00000000e-01 5.00000000e-01 5.31727437e-34]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.413212225501169, -3.01926448352155e-35, -4.78259874733671e-32], [-5.580111211437429e-35, 4.4132122255011685, 4.431724508526892e-17], [1.9172833040416464e-32, 6.99062052532723e-17, 5.795239625721203]])
forces =  [[ 8.50119491e-42  3.09962657e-26  2.56959738e-09]
 [-8.50119491e-42 -3.09962657e-26 -2.56959738e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.27389986e-11 -5.27389986e-11  5.99442386e-11  1.25561806e-26
  1.20485354e-34  4.93172847e-50]
energy per atom =  -5.3443816441643435
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0