element(s):
['Au', 'Pd']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9889']
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.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.9889, 0, 0], [0, 3.9889, 0], [0, 0, 3.9889]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:44:02      -15.728898         0.625027
BFGS:    1 16:44:02      -15.744267         0.521945
BFGS:    2 16:44:02      -15.777331         0.047711
BFGS:    3 16:44:02      -15.777584         0.003056
BFGS:    4 16:44:02      -15.777585         0.000016
BFGS:    5 16:44:02      -15.777585         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.324891922728998e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.64072002e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.52814400e-36]]
cellpar =  Cell([[3.9384580646136214, -1.7726560708130831e-32, -1.446272624310824e-33], [1.1441685639713202e-32, 3.9384580646136214, -4.174661857525901e-20], [-1.2827425359693385e-32, -4.174661857525603e-20, 3.9384580646136214]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.32489192e-10 -3.32489192e-10 -3.32489192e-10  5.34474679e-27
 -6.62196319e-35  1.13659107e-50]
energy per atom =  -3.9443962042723784
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0