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_Pd__MO_066802556726_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 17:12:29      -15.538059        0.6858
BFGS:    1 17:12:29      -15.556682        0.5810
BFGS:    2 17:12:29      -15.600798        0.0083
BFGS:    3 17:12:29      -15.600806        0.0007
BFGS:    4 17:12:29      -15.600806        0.0000
BFGS:    5 17:12:29      -15.600806        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.6757981224067265e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.20491909e-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([[3.878984547799943, -1.1543305777792373e-33, 5.908929945143684e-35], [-1.4749814508353642e-33, 3.878984547799943, -2.0182742710929925e-20], [-4.966026568204436e-35, -2.0182742710930292e-20, 3.878984547799943]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.67579812e-12 -3.67579812e-12 -3.67579812e-12  3.18697876e-30
  1.06665295e-36 -5.72222557e-55]
energy per atom =  -3.900201623905993
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0