element(s):
['Au']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.134']
model name:
EAM_QuinticClampedSpline_Kim_2021_PtAu__MO_463728687265_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.134, 0, 0], [0, 4.134, 0], [0, 0, 4.134]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:48:13      -12.125530        0.2388
BFGS:    1 16:48:13      -12.127749        0.1949
BFGS:    2 16:48:13      -12.132280        0.0061
BFGS:    3 16:48:13      -12.132284        0.0002
BFGS:    4 16:48:13      -12.132284        0.0000
BFGS:    5 16:48:13      -12.132284        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.841283742668088e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Au']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [8.23636476e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.15369999999971, -9.112577927673099e-33, 3.7439470865637286e-34], [-4.4513273054857815e-33, 4.15369999999971, 5.774865296254658e-20], [5.0430097334854756e-33, 5.774865296254535e-20, 4.15369999999971]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.84128374e-13 -1.84128374e-13 -1.84128374e-13 -4.61579326e-29
  2.57619691e-61 -8.47483787e-62]
energy per atom =  -3.0330710327000197
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0