element(s):
['Cl', 'K']
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:
['6.3844']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'K']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[6.3844, 0, 0], [0, 6.3844, 0], [0, 0, 6.3844]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:26:15      -54.712802        7.5003
BFGS:    1 14:26:15      -55.825183        7.3231
BFGS:    2 14:26:15      -56.907081        7.0927
BFGS:    3 14:26:15      -57.949988        6.8020
BFGS:    4 14:26:15      -58.944250        6.4427
BFGS:    5 14:26:15      -59.878928        6.0059
BFGS:    6 14:26:15      -60.742261        5.4883
BFGS:    7 14:26:15      -61.520066        4.8649
BFGS:    8 14:26:15      -62.196136        4.1296
BFGS:    9 14:26:15      -62.753166        3.3070
BFGS:   10 14:26:15      -63.175925        2.3046
BFGS:   11 14:26:16      -63.436510        1.1415
BFGS:   12 14:26:16      -63.516211        0.1105
BFGS:   13 14:26:16      -63.516924        0.0061
BFGS:   14 14:26:16      -63.516926        0.0003
BFGS:   15 14:26:16      -63.516926        0.0000
BFGS:   16 14:26:16      -63.516926        0.0000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.764069901318992e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Cl', 'Cl', 'Cl', 'K', 'K', 'K', 'K']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 5.2143817e-34 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 0.0000000e+00]
 [0.0000000e+00 0.0000000e+00 5.0000000e-01]]
cellpar =  Cell([[5.909594054649092, 3.8965121310983333e-32, 1.5933044851017002e-32], [1.4427351480791727e-32, 5.909594054649093, -2.6407096343719282e-17], [-8.69641137669039e-33, -2.640709634371926e-17, 5.909594054649092]])
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 =  [ 5.76406990e-14  5.76406990e-14  5.76406990e-14 -4.59617527e-31
  1.64706957e-33  2.50263722e-51]
energy per atom =  -7.939615755327734
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0