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 11:00:34      -14.858170         5.970261
BFGS:    1 11:00:34      -15.653406         6.153937
BFGS:    2 11:00:34      -16.449085         6.295697
BFGS:    3 11:00:34      -17.229734         6.389110
BFGS:    4 11:00:34      -17.992722         6.399886
BFGS:    5 11:00:34      -18.725590         6.324610
BFGS:    6 11:00:34      -19.416966         6.138739
BFGS:    7 11:00:34      -20.052260         5.795888
BFGS:    8 11:00:34      -20.622641         5.281849
BFGS:    9 11:00:34      -21.118233         4.534118
BFGS:   10 11:00:34      -21.523020         3.464446
BFGS:   11 11:00:34      -21.815670         1.995541
BFGS:   12 11:00:34      -21.953376         0.722761
BFGS:   13 11:00:34      -21.963730         0.438778
BFGS:   14 11:00:34      -21.971092         0.256407
BFGS:   15 11:00:34      -21.972990         0.163977
BFGS:   16 11:00:34      -21.975935         0.208929
BFGS:   17 11:00:34      -21.978480         0.215771
BFGS:   18 11:00:34      -21.979773         0.114234
BFGS:   19 11:00:34      -21.980125         0.067125
BFGS:   20 11:00:34      -21.980248         0.038465
BFGS:   21 11:00:34      -21.980275         0.014560
BFGS:   22 11:00:34      -21.980283         0.005088
BFGS:   23 11:00:34      -21.980284         0.001909
BFGS:   24 11:00:34      -21.980284         0.000959
BFGS:   25 11:00:34      -21.980284         0.000261
BFGS:   26 11:00:34      -21.980284         0.000045
BFGS:   27 11:00:34      -21.980284         0.000003
BFGS:   28 11:00:34      -21.980284         0.000000
BFGS:   29 11:00:34      -21.980284         0.000000
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