element(s):
['Cd', 'S']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9142']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'S']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[5.9142, 0, 0], [0, 5.9142, 0], [0, 0, 5.9142]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:35:14      -10.773069        1.6408
BFGS:    1 09:35:14      -10.888169        1.6324
BFGS:    2 09:35:14      -11.131327        1.6082
BFGS:    3 09:35:14      -11.370136        1.5742
BFGS:    4 09:35:14      -11.603048        1.5293
BFGS:    5 09:35:14      -11.828300        1.4718
BFGS:    6 09:35:14      -12.043887        1.4001
BFGS:    7 09:35:14      -12.247534        1.3123
BFGS:    8 09:35:14      -12.436658        1.2061
BFGS:    9 09:35:14      -12.608337        1.0793
BFGS:   10 09:35:14      -12.759261        0.9289
BFGS:   11 09:35:14      -12.885689        0.7521
BFGS:   12 09:35:14      -12.983391        0.5453
BFGS:   13 09:35:14      -13.047719        0.3057
BFGS:   14 09:35:14      -13.073175        0.0270
BFGS:   15 09:35:14      -13.073355        0.0022
BFGS:   16 09:35:14      -13.073356        0.0000
BFGS:   17 09:35:14      -13.073356        0.0000
Minimization converged after 17 steps.
Maximum force component: 5.671268290300848e-31 eV/Angstrom
Maximum stress component: 3.399778524404504e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'S', 'S', 'S', 'S']
basis =  [[1.02944408e-33 1.02716313e-33 1.02716288e-33]
 [1.02695834e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.69271787e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.413034655815675, 2.3529957895287023e-33, -1.9643752084856994e-33], [4.6075796237493906e-33, 5.413034655815675, 4.183294225986655e-17], [3.087830755897229e-33, 4.183294225986652e-17, 5.413034655815675]])
forces =  [[ 2.22402678e-32  2.78003348e-32  2.22402678e-32]
 [ 2.22402678e-32  2.22402678e-32  2.22402678e-32]
 [ 2.50203013e-32  2.22402678e-32  2.22402678e-32]
 [ 2.22402678e-32  2.22402678e-32  2.78003348e-32]
 [-2.22402678e-32 -3.89204687e-31  2.00162410e-31]
 [ 5.21196450e-64  4.78165758e-31  2.00162410e-31]
 [-1.52901841e-32 -4.44805356e-31 -2.22402678e-31]
 [-6.67208034e-32  5.67126829e-31 -1.33441607e-31]]
stress =  [ 3.39977852e-10  3.39977852e-10  3.39977852e-10  2.31697616e-26
 -5.60889850e-34 -4.30222635e-50]
energy per atom =  -1.634169517868773
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0