element(s):
['Cl', 'Na']
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:
['5.665']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cl', 'Na']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[5.665, 0, 0], [0, 5.665, 0], [0, 0, 5.665]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:26:15      -60.503658        9.3291
BFGS:    1 14:26:15      -61.898282        9.2588
BFGS:    2 14:26:15      -63.279021        9.1430
BFGS:    3 14:26:15      -64.639603        8.9885
BFGS:    4 14:26:15      -65.971655        8.7617
BFGS:    5 14:26:16      -67.264713        8.4671
BFGS:    6 14:26:16      -68.507932        8.0955
BFGS:    7 14:26:16      -69.688979        7.6363
BFGS:    8 14:26:16      -70.793850        7.0777
BFGS:    9 14:26:16      -71.806665        6.4065
BFGS:   10 14:26:16      -72.709430        5.6077
BFGS:   11 14:26:16      -73.486709        4.7209
BFGS:   12 14:26:16      -74.114232        3.6172
BFGS:   13 14:26:16      -74.562649        2.3291
BFGS:   14 14:26:16      -74.802539        0.8326
BFGS:   15 14:26:16      -74.833630        0.1000
BFGS:   16 14:26:16      -74.834061        0.0036
BFGS:   17 14:26:16      -74.834062        0.0000
BFGS:   18 14:26:16      -74.834062        0.0000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2167058491591285e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cl', 'Cl', 'Cl', 'Cl', 'Na', 'Na', 'Na', 'Na']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.31268626e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.30846471e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 6.64085782e-50]
 [2.65634313e-49 5.00000000e-01 0.00000000e+00]
 [6.64085782e-50 3.73847060e-35 5.00000000e-01]]
cellpar =  Cell([[5.151651971421756, 1.253143646153325e-32, -1.4684612057816336e-33], [9.476543916239683e-33, 5.151651971421755, -6.867024909794318e-19], [1.0774858565907518e-33, -6.867024909794256e-19, 5.151651971421755]])
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 =  [-1.21670585e-10 -1.21670585e-10 -1.21670585e-10  4.85242804e-29
 -4.64437660e-34  8.97187795e-53]
energy per atom =  -9.354257704657059
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0