element(s):
['Au', 'Pd']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0955']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Pd']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.0955, 0, 0], [0, 4.0955, 0], [0, 0, 4.0955]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:52:54      -15.740219         0.770644
BFGS:    1 14:52:54      -15.763602         0.644441
BFGS:    2 14:52:54      -15.813849         0.008578
BFGS:    3 14:52:54      -15.813857         0.000686
BFGS:    4 14:52:54      -15.813857         0.000001
BFGS:    5 14:52:54      -15.813857         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.5425402069973538e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Au', 'Au', 'Pd']
basis =  [[3.39365479e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[4.032394619946532, -2.2670131054458816e-32, -9.54385641977557e-33], [-1.8341598808955772e-32, 4.032394619946532, 1.5274508103055232e-19], [2.9952905605306535e-33, 1.5274508103053836e-19, 4.032394619946532]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.54254021e-12  2.54254021e-12  2.54254021e-12  1.79578038e-28
 -1.26340664e-34 -1.16320155e-50]
energy per atom =  -3.9534643033207635
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0