element(s):
['Pd']
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:
['3.9372']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.9372, 0, 0], [0, 3.9372, 0], [0, 0, 3.9372]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:35:12      -15.538113         0.685909
BFGS:    1 16:35:12      -15.556747         0.581301
BFGS:    2 16:35:12      -15.601077         0.005135
BFGS:    3 16:35:12      -15.601080         0.000391
BFGS:    4 16:35:12      -15.601080         0.000000
BFGS:    5 16:35:12      -15.601080         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.051929893944026e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', '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 3.10334297e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.87874052445085, -2.2157043323598343e-33, -6.186347200937161e-34], [-1.7016210832184683e-32, 3.87874052445085, 1.1295292201552684e-19], [4.638412806061685e-34, 1.1295292201552498e-19, 3.87874052445085]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.05192989e-13 -7.05192989e-13 -7.05192989e-13 -3.62486883e-31
 -9.92163773e-62  4.34067121e-61]
energy per atom =  -3.900269925334642
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0