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:
Morse_EIP_GuthikondaElliott_2011_AuCd__MO_703849496106_002
==== 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 15:47:08       -7.171866         0.754406
BFGS:    1 15:47:08       -7.190671         0.710095
BFGS:    2 15:47:08       -7.256571         0.475205
BFGS:    3 15:47:08       -7.285482         0.203110
BFGS:    4 15:47:08       -7.288280         0.219659
BFGS:    5 15:47:08       -7.291031         0.185198
BFGS:    6 15:47:08       -7.296182         0.224676
BFGS:    7 15:47:08       -7.299835         0.249818
BFGS:    8 15:47:08       -7.307025         0.316361
BFGS:    9 15:47:08       -7.317838         0.364388
BFGS:   10 15:47:08       -7.330448         0.326205
BFGS:   11 15:47:08       -7.339799         0.177373
BFGS:   12 15:47:08       -7.343387         0.108095
BFGS:   13 15:47:08       -7.343752         0.083683
BFGS:   14 15:47:08       -7.344073         0.068814
BFGS:   15 15:47:08       -7.344565         0.060988
BFGS:   16 15:47:08       -7.344995         0.033737
BFGS:   17 15:47:08       -7.345163         0.012282
BFGS:   18 15:47:09       -7.345183         0.002496
BFGS:   19 15:47:09       -7.345183         0.001077
BFGS:   20 15:47:09       -7.345184         0.000915
BFGS:   21 15:47:09       -7.345184         0.000817
BFGS:   22 15:47:09       -7.345184         0.000613
BFGS:   23 15:47:09       -7.345184         0.000214
BFGS:   24 15:47:09       -7.345184         0.000028
BFGS:   25 15:47:09       -7.345184         0.000004
BFGS:   26 15:47:09       -7.345184         0.000000
BFGS:   27 15:47:09       -7.345184         0.000000
Minimization converged after 27 steps.
Maximum force component: 3.854288752850296e-09 eV/Angstrom
Maximum stress component: 4.633244775340265e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Cd', 'Cd']
basis =  [[2.50000000e-01 0.00000000e+00 8.29149963e-01]
 [7.50000000e-01 1.65296345e-35 1.70850037e-01]
 [2.50000000e-01 5.00000000e-01 3.34630483e-01]
 [7.50000000e-01 5.00000000e-01 6.65369517e-01]]
cellpar =  Cell([[4.773000064512679, 1.9242790847387687e-36, 0.0], [1.7198557252647527e-35, 2.9597045716408776, 0.0], [0.0, 0.0, 5.062370285250295]])
forces =  [[ 1.03497941e-18  4.17261513e-55 -3.85428875e-09]
 [-1.03497941e-18 -4.17261513e-55  3.85428875e-09]
 [-4.13991763e-18 -1.66904605e-54  8.59102802e-10]
 [ 4.13991763e-18  1.66904605e-54 -8.59102802e-10]]
stress =  [-4.63324478e-10 -1.13673569e-10  8.32432382e-11  0.00000000e+00
  0.00000000e+00  2.43841670e-45]
energy per atom =  -1.8362959459789658
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0