element(s):
['Cd', 'Se']
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:
['6.1809']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cd', 'Se']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[6.1809, 0, 0], [0, 6.1809, 0], [0, 0, 6.1809]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:05:57      -11.335223         1.696476
BFGS:    1 19:05:57      -11.458222         1.686656
BFGS:    2 19:05:57      -11.709309         1.659572
BFGS:    3 19:05:57      -11.955581         1.622226
BFGS:    4 19:05:57      -12.195499         1.593494
BFGS:    5 19:05:57      -12.430094         1.532097
BFGS:    6 19:05:57      -12.654376         1.455652
BFGS:    7 19:05:57      -12.865937         1.362138
BFGS:    8 19:05:57      -13.062071         1.249440
BFGS:    9 19:05:57      -13.239671         1.114690
BFGS:   10 19:05:57      -13.395240         0.955170
BFGS:   11 19:05:57      -13.524823         0.767650
BFGS:   12 19:05:57      -13.623981         0.553016
BFGS:   13 19:05:57      -13.688308         0.298366
BFGS:   14 19:05:57      -13.711477         0.003416
BFGS:   15 19:05:57      -13.711479         0.000256
BFGS:   16 19:05:57      -13.711479         0.000000
BFGS:   17 19:05:57      -13.711479         0.000000
Minimization converged after 17 steps.
Maximum force component: 9.998858268638034e-31 eV/Angstrom
Maximum stress component: 4.612909782019743e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Se', 'Se', 'Se', 'Se']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[5.659561087629097, 1.7495020904931964e-32, -5.9552956752238556e-33], [-1.0109177679213194e-32, 5.659561087629097, -4.9353273638601205e-18], [3.831435375559473e-33, -4.935327363860114e-18, 5.659561087629097]])
forces =  [[-8.30701568e-65  4.65063175e-32 -4.05550710e-50]
 [ 1.16265794e-32  1.16265794e-32  1.16265794e-32]
 [-8.30701568e-65  4.65063175e-32 -4.05550710e-50]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.88316334e-31  6.51088445e-31 -6.97594763e-32]
 [-6.16208707e-31  3.04163032e-49 -3.48797381e-31]
 [ 3.31357512e-31  9.99885827e-31  7.20847922e-31]
 [-6.97594763e-31 -3.48797381e-32 -8.83620033e-31]]
stress =  [ 4.61290978e-13  4.61290978e-13  4.61290978e-13 -3.68278113e-29
  1.45427408e-61 -1.41503347e-61]
energy per atom =  -1.7139349242978095
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0