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 14:13:22      -11.335223        1.6965
BFGS:    1 14:13:22      -11.458222        1.6867
BFGS:    2 14:13:22      -11.709309        1.6596
BFGS:    3 14:13:23      -11.955581        1.6222
BFGS:    4 14:13:23      -12.195499        1.5935
BFGS:    5 14:13:23      -12.430094        1.5321
BFGS:    6 14:13:23      -12.654376        1.4557
BFGS:    7 14:13:23      -12.865937        1.3621
BFGS:    8 14:13:23      -13.062071        1.2494
BFGS:    9 14:13:23      -13.239671        1.1147
BFGS:   10 14:13:23      -13.395240        0.9552
BFGS:   11 14:13:23      -13.524823        0.7676
BFGS:   12 14:13:23      -13.623981        0.5530
BFGS:   13 14:13:23      -13.688308        0.2984
BFGS:   14 14:13:23      -13.711477        0.0034
BFGS:   15 14:13:23      -13.711479        0.0003
BFGS:   16 14:13:23      -13.711479        0.0000
BFGS:   17 14:13:23      -13.711479        0.0000
Minimization converged after 17 steps.
Maximum force component: 9.76632668099529e-31 eV/Angstrom
Maximum stress component: 4.617513417457026e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cd', 'Cd', 'Cd', 'Cd', 'Se', 'Se', 'Se', 'Se']
basis =  [[0.00000000e+00 1.28896874e-34 0.00000000e+00]
 [1.27714151e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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([[5.659561087629098, 2.6725732887593883e-33, 7.45965231898306e-33], [-2.5130366668156967e-33, 5.659561087629098, 4.207144117285837e-17], [4.2613573477107316e-33, 4.2071441172858375e-17, 5.659561087629098]])
forces =  [[ 9.30126351e-32  9.30126351e-32  1.39518953e-31]
 [ 4.65063175e-32 -4.65063175e-32  4.65063175e-32]
 [-9.30126351e-32  4.65063175e-32 -9.30126351e-32]
 [ 1.39518953e-31  6.91427399e-49  9.30126351e-32]
 [ 4.65063175e-31  8.37113716e-31 -7.90607398e-31]
 [-2.79037905e-31  6.04582128e-31  4.88316334e-31]
 [ 6.27835287e-31  9.76632668e-31 -1.39518953e-31]
 [-1.39518953e-31 -6.16208707e-31 -3.25544223e-31]]
stress =  [ 4.61751342e-13  4.61751342e-13  4.61751342e-13  4.74020430e-31
 -4.09596049e-62 -4.67872915e-62]
energy per atom =  -1.7139349242978106
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0