element(s):
['Au', 'Cd']
AFLOW prototype label:
AB_oP4_51_e_f
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8651', '0.65373785', '1.0217673', '0.80459427', '0.29936701']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Cd']
representative atom coordinates =  [[0.25       0.         0.80459427]
 [0.25       0.5        0.29936701]]
spacegroup =  51
cell =  [[4.8651, 0, 0], [0, 3.1805, 0], [0, 0, 4.971]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:24:46      -14.858170        5.9703
BFGS:    1 16:24:46      -15.653406        6.1539
BFGS:    2 16:24:46      -16.449085        6.2957
BFGS:    3 16:24:46      -17.229734        6.3891
BFGS:    4 16:24:46      -17.992722        6.3999
BFGS:    5 16:24:46      -18.725590        6.3246
BFGS:    6 16:24:46      -19.416966        6.1387
BFGS:    7 16:24:46      -20.052260        5.7959
BFGS:    8 16:24:46      -20.622641        5.2818
BFGS:    9 16:24:46      -21.118233        4.5341
BFGS:   10 16:24:46      -21.523020        3.4644
BFGS:   11 16:24:46      -21.815670        1.9955
BFGS:   12 16:24:46      -21.953376        0.7228
BFGS:   13 16:24:46      -21.963730        0.4388
BFGS:   14 16:24:46      -21.971092        0.2564
BFGS:   15 16:24:46      -21.972990        0.1640
BFGS:   16 16:24:46      -21.975935        0.2089
BFGS:   17 16:24:46      -21.978480        0.2158
BFGS:   18 16:24:46      -21.979773        0.1142
BFGS:   19 16:24:46      -21.980125        0.0671
BFGS:   20 16:24:46      -21.980248        0.0385
BFGS:   21 16:24:46      -21.980275        0.0146
BFGS:   22 16:24:46      -21.980283        0.0051
BFGS:   23 16:24:46      -21.980284        0.0019
BFGS:   24 16:24:46      -21.980284        0.0010
BFGS:   25 16:24:46      -21.980284        0.0003
BFGS:   26 16:24:46      -21.980284        0.0000
BFGS:   27 16:24:46      -21.980284        0.0000
BFGS:   28 16:24:46      -21.980284        0.0000
BFGS:   29 16:24:46      -21.980284        0.0000
Minimization converged after 29 steps.
Maximum force component: 4.079015559070009e-09 eV/Angstrom
Maximum stress component: 3.065531804443086e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Cd', 'Cd']
basis =  [[2.50000000e-01 6.56910783e-39 8.17184630e-01]
 [7.50000000e-01 0.00000000e+00 1.82815370e-01]
 [2.50000000e-01 5.00000000e-01 3.24611764e-01]
 [7.50000000e-01 5.00000000e-01 6.75388236e-01]]
cellpar =  Cell([[4.271430807728856, -1.5812474424284295e-35, 0.0], [-1.0549415641271256e-35, 2.694084436615107, 0.0], [0.0, 0.0, 4.474764522729549]])
forces =  [[ 3.25078968e-68 -8.30178862e-33 -4.07901556e-09]
 [ 0.00000000e+00  0.00000000e+00  4.07901556e-09]
 [ 0.00000000e+00  0.00000000e+00  3.33135020e-09]
 [ 0.00000000e+00  0.00000000e+00 -3.33135020e-09]]
stress =  [-3.06553180e-10 -2.07317960e-10 -1.32323689e-10  0.00000000e+00
  0.00000000e+00 -8.77445914e-46]
energy per atom =  -5.495071021589331
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0