element(s):
['Cl', 'K']
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:
['3.8405']
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 =  221
cell =  [[3.8405, 0, 0], [0, 3.8405, 0], [0, 0, 3.8405]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:46:29      -15.282481        7.7453
BFGS:    1 14:46:29      -16.343277        6.1930
BFGS:    2 14:46:29      -17.064333        3.1252
BFGS:    3 14:46:29      -17.147183        2.5679
BFGS:    4 14:46:29      -17.216038        0.4086
BFGS:    5 14:46:29      -17.218144        0.0429
BFGS:    6 14:46:29      -17.218167        0.0008
BFGS:    7 14:46:29      -17.218167        0.0000
BFGS:    8 14:46:29      -17.218167        0.0000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.669315470836523e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'K']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5891404665745164, 5.444425219033961e-33, -2.7610144451292515e-33], [8.123233261443341e-33, 3.5891404665745164, -8.55568318616732e-19], [2.2896234222325304e-33, -8.555683186167349e-19, 3.5891404665745164]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [2.66931547e-12 2.66931547e-12 2.66931547e-12 3.93934097e-29
 4.78420249e-34 7.51751606e-51]
energy per atom =  -8.60908366053372
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0